REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2hzy_1_A DATA FIRST_RESID 1 DATA SEQUENCE MSFIPVAEDS DFPIQNLPYG VFSTQSNPKP RIGVAIGDQI LDLSVIKHLF DATA SEQUENCE TGPALSKHQH VFDETTLNNF MGLGQAAWKE ARASLQNLLS ASQARLRDDK DATA SEQUENCE ELRQRAFTSQ ASATMHLPAT IGDYTDFYSS RQHATNVGIM FRGKENALLP DATA SEQUENCE NWLHLPVGYH GRASSIVVSG TPIRRPMGQM RPDNSKPPVY GACRLLDMEL DATA SEQUENCE EMAFFVGPGN RFGEPIPISK AHEHIFGMVL MNDWSARDIQ QWEYVPLGPF DATA SEQUENCE LGKSFGTTIS PWVVPMDALM PFVVPNPKQD PKPLPYLCHS QPYTFDINLS DATA SEQUENCE VSLKGEGMSQ AATICRSNFK HMYWTMLQQL THHSVNGCNL RPGDLLASGT DATA SEQUENCE ISGSDPESFG SMLELSWKGT KAIDVGQGQT RTFLLDGDEV IITGHCQGDG DATA SEQUENCE YRVGFGQCAG KVLPAL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.264 176.300 -0.060 0.000 1.140 1 M CA 0.000 55.277 55.300 -0.038 0.000 0.988 1 M CB 0.000 32.565 32.600 -0.058 0.000 1.302 2 S N 0.678 116.330 115.700 -0.080 0.000 2.614 2 S HA 0.551 5.021 4.470 0.000 0.000 0.288 2 S C 0.465 174.988 174.600 -0.129 0.000 1.137 2 S CA -0.620 57.478 58.200 -0.170 0.000 0.992 2 S CB 0.686 63.753 63.200 -0.223 0.000 1.026 2 S HN 0.283 nan 8.310 nan 0.000 0.486 3 F N 4.174 124.080 119.950 -0.073 0.000 2.604 3 F HA 0.451 4.978 4.527 0.000 0.000 0.298 3 F C 0.400 176.112 175.800 -0.146 0.000 1.131 3 F CA -0.157 57.786 58.000 -0.094 0.000 1.457 3 F CB -0.142 38.808 39.000 -0.083 0.000 1.095 3 F HN 0.343 nan 8.300 nan 0.000 0.574 4 I N 4.889 125.154 120.570 -0.508 0.000 2.352 4 I HA 0.203 4.373 4.170 0.000 0.000 0.290 4 I C -2.056 173.930 176.117 -0.219 0.000 1.036 4 I CA -2.308 58.753 61.300 -0.398 0.000 1.336 4 I CB 0.413 38.064 38.000 -0.582 0.000 1.407 4 I HN -0.052 nan 8.210 nan 0.000 0.497 5 P HA 0.157 nan 4.420 nan 0.000 0.271 5 P C -0.723 176.524 177.300 -0.087 0.000 1.218 5 P CA -0.113 62.935 63.100 -0.087 0.000 0.780 5 P CB 1.417 33.082 31.700 -0.058 0.000 0.901 6 V N 2.128 122.003 119.914 -0.065 0.000 2.482 6 V HA 0.459 4.579 4.120 0.000 0.000 0.295 6 V C 0.554 176.631 176.094 -0.028 0.000 1.026 6 V CA -0.949 61.321 62.300 -0.049 0.000 0.856 6 V CB 1.323 33.113 31.823 -0.056 0.000 1.001 6 V HN 0.790 nan 8.190 nan 0.000 0.424 7 A N 3.055 125.863 122.820 -0.020 0.000 2.406 7 A HA 0.346 4.666 4.320 0.000 0.000 0.243 7 A C 1.097 178.674 177.584 -0.011 0.000 1.082 7 A CA -0.001 52.027 52.037 -0.014 0.000 0.786 7 A CB 0.176 19.170 19.000 -0.011 0.000 1.029 7 A HN 0.956 nan 8.150 nan 0.000 0.495 8 E N -0.069 120.125 120.200 -0.009 0.000 2.204 8 E HA -0.197 4.153 4.350 0.000 0.000 0.195 8 E C 0.565 177.153 176.600 -0.020 0.000 0.990 8 E CA 1.430 57.827 56.400 -0.006 0.000 0.821 8 E CB 0.007 29.703 29.700 -0.007 0.000 0.750 8 E HN 0.840 nan 8.360 nan 0.000 0.477 9 D N -0.328 120.055 120.400 -0.028 0.000 2.336 9 D HA -0.032 4.608 4.640 0.000 0.000 0.229 9 D C 0.278 176.547 176.300 -0.052 0.000 1.061 9 D CA 0.045 54.019 54.000 -0.043 0.000 0.875 9 D CB 0.056 40.834 40.800 -0.036 0.000 0.904 9 D HN -0.161 nan 8.370 nan 0.000 0.525 10 S N 0.030 115.701 115.700 -0.050 0.000 2.548 10 S HA 0.048 4.518 4.470 0.000 0.000 0.277 10 S C 0.628 175.113 174.600 -0.191 0.000 1.315 10 S CA -0.579 57.569 58.200 -0.087 0.000 1.050 10 S CB 0.873 64.050 63.200 -0.038 0.000 0.918 10 S HN -0.072 nan 8.310 nan 0.000 0.497 11 D N 3.022 123.151 120.400 -0.452 0.000 2.348 11 D HA 0.039 4.679 4.640 0.000 0.000 0.216 11 D C -0.198 175.577 176.300 -0.876 0.000 0.970 11 D CA 1.005 54.537 54.000 -0.780 0.000 0.889 11 D CB -0.055 39.911 40.800 -1.390 0.000 0.912 11 D HN 0.602 nan 8.370 nan 0.000 0.524 12 F N 0.598 120.458 119.950 -0.149 0.000 2.627 12 F HA 0.276 4.803 4.527 0.000 0.000 0.329 12 F C -2.054 173.640 175.800 -0.177 0.000 1.378 12 F CA -1.914 55.948 58.000 -0.229 0.000 1.134 12 F CB 1.053 39.846 39.000 -0.346 0.000 1.229 12 F HN -0.207 nan 8.300 nan 0.000 0.537 13 P HA 0.061 nan 4.420 nan 0.000 0.277 13 P C 1.187 178.431 177.300 -0.093 0.000 1.276 13 P CA -0.240 62.832 63.100 -0.048 0.000 0.788 13 P CB 1.685 33.371 31.700 -0.022 0.000 1.114 14 I N -0.032 120.456 120.570 -0.137 0.000 2.567 14 I HA -0.227 3.943 4.170 0.000 0.000 0.257 14 I C 1.987 178.013 176.117 -0.150 0.000 1.184 14 I CA 1.748 62.960 61.300 -0.147 0.000 1.451 14 I CB -0.856 37.054 38.000 -0.150 0.000 1.089 14 I HN 0.208 nan 8.210 nan 0.000 0.441 15 Q N -0.241 119.439 119.800 -0.201 0.000 2.472 15 Q HA -0.065 4.275 4.340 0.000 0.000 0.208 15 Q C 1.731 177.709 176.000 -0.038 0.000 0.958 15 Q CA 0.611 56.318 55.803 -0.161 0.000 0.932 15 Q CB -0.263 28.277 28.738 -0.330 0.000 1.007 15 Q HN 0.513 nan 8.270 nan 0.000 0.508 16 N N 0.474 119.142 118.700 -0.053 0.000 2.358 16 N HA 0.043 4.783 4.740 0.000 0.000 0.209 16 N C -0.310 175.128 175.510 -0.121 0.000 1.033 16 N CA 0.534 53.545 53.050 -0.065 0.000 1.021 16 N CB 0.174 38.623 38.487 -0.064 0.000 1.244 16 N HN 0.140 nan 8.380 nan 0.000 0.523 17 L N 0.396 121.519 121.223 -0.166 0.000 3.573 17 L HA -0.124 4.216 4.340 0.000 0.000 0.578 17 L C -2.420 174.203 176.870 -0.411 0.000 1.299 17 L CA -0.480 54.195 54.840 -0.275 0.000 0.914 17 L CB -1.680 40.247 42.059 -0.221 0.000 1.563 17 L HN 0.339 nan 8.230 nan 0.000 0.860 18 P HA 0.272 nan 4.420 nan 0.000 0.278 18 P C -0.873 176.312 177.300 -0.192 0.000 1.258 18 P CA -0.158 62.812 63.100 -0.216 0.000 0.811 18 P CB 0.704 32.398 31.700 -0.010 0.000 1.063 19 Y N -0.569 119.939 120.300 0.347 0.000 2.360 19 Y HA 0.662 5.212 4.550 0.000 0.000 0.337 19 Y C 1.217 177.339 175.900 0.369 0.000 1.039 19 Y CA 0.008 58.343 58.100 0.391 0.000 1.109 19 Y CB 1.978 40.679 38.460 0.402 0.000 1.201 19 Y HN 0.547 nan 8.280 nan 0.000 0.458 20 G N 0.721 109.737 108.800 0.359 0.000 2.708 20 G HA2 0.603 4.563 3.960 0.000 0.000 0.289 20 G HA3 0.603 4.563 3.960 0.000 0.000 0.289 20 G C -2.114 172.752 174.900 -0.057 0.000 1.416 20 G CA -0.835 44.162 45.100 -0.171 0.000 0.829 20 G HN 0.399 nan 8.290 nan 0.000 0.480 21 V N 0.832 120.673 119.914 -0.123 0.000 2.448 21 V HA 0.751 4.871 4.120 0.000 0.000 0.295 21 V C -0.575 175.590 176.094 0.118 0.000 1.025 21 V CA -0.493 61.812 62.300 0.007 0.000 0.859 21 V CB 0.483 32.276 31.823 -0.051 0.000 0.988 21 V HN 0.796 nan 8.190 nan 0.000 0.431 22 F N 2.627 122.570 119.950 -0.012 0.000 2.664 22 F HA 0.972 5.499 4.527 -0.000 0.000 0.317 22 F C -0.286 175.584 175.800 0.116 0.000 1.108 22 F CA -0.620 57.433 58.000 0.088 0.000 0.957 22 F CB 2.056 41.057 39.000 0.002 0.000 1.365 22 F HN 0.490 nan 8.300 nan 0.000 0.475 23 S N -0.079 115.707 115.700 0.144 0.000 2.638 23 S HA 0.898 5.368 4.470 0.000 0.000 0.274 23 S C -1.026 173.675 174.600 0.169 0.000 1.157 23 S CA -0.163 58.023 58.200 -0.024 0.000 0.826 23 S CB 1.553 64.789 63.200 0.059 0.000 1.139 23 S HN 1.302 nan 8.310 nan 0.000 0.474 24 T N -1.780 112.833 114.554 0.099 0.000 2.887 24 T HA 0.460 4.810 4.350 0.000 0.000 0.292 24 T C 1.081 175.825 174.700 0.074 0.000 1.087 24 T CA -0.301 61.875 62.100 0.126 0.000 1.009 24 T CB 1.360 70.319 68.868 0.152 0.000 1.203 24 T HN 0.875 nan 8.240 nan 0.000 0.518 25 Q N 1.090 120.931 119.800 0.069 0.000 2.096 25 Q HA -0.145 4.195 4.340 0.000 0.000 0.204 25 Q C 2.194 178.216 176.000 0.037 0.000 0.982 25 Q CA 2.310 58.142 55.803 0.048 0.000 0.850 25 Q CB -0.623 28.142 28.738 0.045 0.000 0.901 25 Q HN 0.716 nan 8.270 nan 0.000 0.422 26 S N 0.386 116.111 115.700 0.043 0.000 2.387 26 S HA -0.115 4.355 4.470 0.000 0.000 0.226 26 S C 0.691 175.303 174.600 0.020 0.000 1.026 26 S CA 0.881 59.101 58.200 0.033 0.000 0.972 26 S CB -0.102 63.124 63.200 0.043 0.000 0.814 26 S HN 0.503 nan 8.310 nan 0.000 0.477 27 N N 1.066 119.774 118.700 0.014 0.000 2.617 27 N HA 0.456 5.196 4.740 0.000 0.000 0.263 27 N C -2.899 172.586 175.510 -0.041 0.000 1.074 27 N CA -2.129 50.911 53.050 -0.018 0.000 0.841 27 N CB 1.893 40.362 38.487 -0.029 0.000 1.221 27 N HN -0.003 nan 8.380 nan 0.000 0.529 28 P HA 0.007 nan 4.420 nan 0.000 0.245 28 P C -0.143 177.099 177.300 -0.098 0.000 1.212 28 P CA 0.471 63.550 63.100 -0.036 0.000 0.774 28 P CB 0.170 31.861 31.700 -0.014 0.000 0.999 29 K N 1.704 122.024 120.400 -0.132 0.000 2.339 29 K HA 0.176 4.496 4.320 0.000 0.000 0.286 29 K C -2.391 174.032 176.600 -0.295 0.000 1.050 29 K CA -2.138 54.040 56.287 -0.183 0.000 0.956 29 K CB 0.196 32.609 32.500 -0.144 0.000 0.990 29 K HN -0.065 nan 8.250 nan 0.000 0.475 30 P HA 0.032 nan 4.420 nan 0.000 0.268 30 P C -1.085 175.984 177.300 -0.384 0.000 1.204 30 P CA 0.183 62.978 63.100 -0.508 0.000 0.768 30 P CB 0.556 31.884 31.700 -0.621 0.000 0.842 31 R N 1.665 121.902 120.500 -0.439 0.000 2.734 31 R HA 0.591 4.931 4.340 0.000 0.000 0.271 31 R C -1.127 175.069 176.300 -0.174 0.000 1.021 31 R CA -1.060 54.844 56.100 -0.326 0.000 0.893 31 R CB 0.819 30.894 30.300 -0.375 0.000 1.244 31 R HN 0.173 nan 8.270 nan 0.000 0.464 32 I N 1.209 121.787 120.570 0.014 0.000 2.371 32 I HA 0.448 4.618 4.170 0.000 0.000 0.290 32 I C 0.489 176.832 176.117 0.375 0.000 1.028 32 I CA -0.038 61.372 61.300 0.184 0.000 1.345 32 I CB 1.578 39.660 38.000 0.137 0.000 1.407 32 I HN 0.829 nan 8.210 nan 0.000 0.501 33 G N 4.838 113.914 108.800 0.460 0.000 2.730 33 G HA2 0.711 4.672 3.960 0.000 0.000 0.289 33 G HA3 0.711 4.672 3.960 0.000 0.000 0.289 33 G C -1.557 173.533 174.900 0.315 0.000 1.341 33 G CA -0.459 44.840 45.100 0.331 0.000 0.932 33 G HN 0.316 nan 8.290 nan 0.000 0.481 34 V N 0.412 120.383 119.914 0.095 0.000 2.531 34 V HA 0.660 4.780 4.120 0.000 0.000 0.301 34 V C 0.453 176.327 176.094 -0.366 0.000 1.034 34 V CA -0.789 61.457 62.300 -0.091 0.000 0.865 34 V CB 1.348 33.068 31.823 -0.172 0.000 0.995 34 V HN 1.171 nan 8.190 nan 0.000 0.424 35 A N 5.200 127.490 122.820 -0.883 0.000 2.409 35 A HA 0.759 5.079 4.320 0.000 0.000 0.262 35 A C -0.679 176.512 177.584 -0.656 0.000 1.113 35 A CA 0.070 51.374 52.037 -1.222 0.000 0.790 35 A CB 0.176 17.586 19.000 -2.650 0.000 1.046 35 A HN 0.919 nan 8.150 nan 0.000 0.496 36 I N 2.177 122.495 120.570 -0.419 0.000 2.586 36 I HA 0.584 4.754 4.170 0.000 0.000 0.288 36 I C 0.639 176.670 176.117 -0.143 0.000 1.147 36 I CA 1.224 62.397 61.300 -0.211 0.000 1.047 36 I CB 1.259 39.161 38.000 -0.163 0.000 1.244 36 I HN 1.618 nan 8.210 nan 0.000 0.429 37 G N 6.420 115.187 108.800 -0.055 0.000 2.611 37 G HA2 -0.356 3.604 3.960 0.000 0.000 0.301 37 G HA3 -0.356 3.604 3.960 0.000 0.000 0.301 37 G C 0.287 175.197 174.900 0.017 0.000 1.233 37 G CA 0.802 45.890 45.100 -0.021 0.000 0.993 37 G HN 1.128 nan 8.290 nan 0.000 0.553 38 D N 0.724 121.115 120.400 -0.015 0.000 2.388 38 D HA 0.265 4.905 4.640 0.000 0.000 0.221 38 D C 0.747 177.019 176.300 -0.047 0.000 1.133 38 D CA 0.422 54.421 54.000 -0.001 0.000 0.831 38 D CB 0.208 41.020 40.800 0.019 0.000 0.962 38 D HN 0.458 nan 8.370 nan 0.000 0.502 39 Q N 0.092 119.839 119.800 -0.089 0.000 2.297 39 Q HA 0.535 4.875 4.340 0.000 0.000 0.269 39 Q C -0.149 175.764 176.000 -0.144 0.000 1.051 39 Q CA -0.710 55.059 55.803 -0.055 0.000 0.869 39 Q CB 2.627 31.382 28.738 0.028 0.000 1.346 39 Q HN 0.191 nan 8.270 nan 0.000 0.457 40 I N 1.835 122.329 120.570 -0.126 0.000 2.406 40 I HA 0.207 4.377 4.170 0.000 0.000 0.290 40 I C -0.638 175.362 176.117 -0.194 0.000 0.999 40 I CA -1.058 60.088 61.300 -0.258 0.000 1.124 40 I CB 1.627 39.307 38.000 -0.533 0.000 1.289 40 I HN 0.272 nan 8.210 nan 0.000 0.441 41 L N 6.615 127.704 121.223 -0.223 0.000 2.261 41 L HA 0.335 4.675 4.340 0.000 0.000 0.289 41 L C -0.121 176.620 176.870 -0.215 0.000 1.059 41 L CA 0.117 54.723 54.840 -0.391 0.000 0.816 41 L CB 0.553 42.382 42.059 -0.383 0.000 1.191 41 L HN 0.437 nan 8.230 nan 0.000 0.431 42 D N 4.752 125.059 120.400 -0.156 0.000 2.336 42 D HA 0.070 4.710 4.640 0.000 0.000 0.249 42 D C 1.050 177.368 176.300 0.031 0.000 1.213 42 D CA 0.058 54.120 54.000 0.103 0.000 0.870 42 D CB 0.813 41.731 40.800 0.196 0.000 1.076 42 D HN 0.670 nan 8.370 nan 0.000 0.483 43 L N 2.921 124.191 121.223 0.080 0.000 2.291 43 L HA -0.136 4.204 4.340 0.000 0.000 0.214 43 L C 2.424 179.323 176.870 0.049 0.000 1.120 43 L CA 0.700 55.551 54.840 0.018 0.000 0.799 43 L CB -0.456 41.571 42.059 -0.054 0.000 0.925 43 L HN 0.394 nan 8.230 nan 0.000 0.446 44 S N -0.491 115.252 115.700 0.070 0.000 2.383 44 S HA -0.123 4.347 4.470 0.000 0.000 0.227 44 S C 1.903 176.510 174.600 0.011 0.000 1.026 44 S CA 0.988 59.215 58.200 0.045 0.000 0.981 44 S CB -0.675 62.532 63.200 0.012 0.000 0.818 44 S HN 0.168 nan 8.310 nan 0.000 0.472 45 V N 2.804 122.722 119.914 0.008 0.000 2.358 45 V HA -0.035 4.085 4.120 0.000 0.000 0.246 45 V C 2.217 178.294 176.094 -0.029 0.000 1.047 45 V CA 1.865 64.161 62.300 -0.008 0.000 1.035 45 V CB -0.817 30.998 31.823 -0.013 0.000 0.658 45 V HN 0.816 nan 8.190 nan 0.000 0.452 46 I N -0.982 119.555 120.570 -0.055 0.000 3.891 46 I HA 0.152 4.322 4.170 0.000 0.000 0.331 46 I C 1.943 178.018 176.117 -0.069 0.000 1.406 46 I CA 0.129 61.373 61.300 -0.093 0.000 1.139 46 I CB -0.543 37.345 38.000 -0.187 0.000 1.056 46 I HN 0.252 nan 8.210 nan 0.000 0.399 47 K N 0.297 120.695 120.400 -0.003 0.000 2.160 47 K HA -0.217 4.103 4.320 0.000 0.000 0.206 47 K C 1.310 177.996 176.600 0.144 0.000 1.047 47 K CA 1.603 57.973 56.287 0.137 0.000 0.930 47 K CB -0.672 31.883 32.500 0.092 0.000 0.720 47 K HN 0.434 nan 8.250 nan 0.000 0.450 48 H N 0.173 119.317 119.070 0.124 0.000 2.559 48 H HA 0.048 4.604 4.556 0.000 0.000 0.273 48 H C 1.308 176.653 175.328 0.028 0.000 1.000 48 H CA 0.622 56.726 56.048 0.093 0.000 1.195 48 H CB 0.196 29.989 29.762 0.053 0.000 1.368 48 H HN 0.142 nan 8.280 nan 0.000 0.592 49 L N -0.405 120.815 121.223 -0.004 0.000 2.599 49 L HA 0.042 4.382 4.340 0.000 0.000 0.230 49 L C 0.191 176.901 176.870 -0.266 0.000 1.141 49 L CA 0.507 55.242 54.840 -0.175 0.000 0.877 49 L CB -0.462 41.413 42.059 -0.305 0.000 1.009 49 L HN -0.008 nan 8.230 nan 0.000 0.447 50 F N -0.264 119.721 119.950 0.057 0.000 2.406 50 F HA 0.200 4.727 4.527 0.000 0.000 0.358 50 F C 1.421 177.302 175.800 0.137 0.000 1.161 50 F CA -0.302 57.754 58.000 0.094 0.000 1.185 50 F CB 0.098 39.178 39.000 0.133 0.000 1.421 50 F HN -0.032 nan 8.300 nan 0.000 0.576 51 T N -1.599 113.085 114.554 0.216 0.000 3.054 51 T HA 0.277 4.627 4.350 0.000 0.000 0.255 51 T C 1.063 175.857 174.700 0.156 0.000 1.035 51 T CA -0.112 62.088 62.100 0.166 0.000 0.941 51 T CB -0.012 68.916 68.868 0.100 0.000 1.026 51 T HN 0.468 nan 8.240 nan 0.000 0.533 52 G N 2.627 111.539 108.800 0.186 0.000 2.651 52 G HA2 0.410 4.370 3.960 0.000 0.000 0.260 52 G HA3 0.410 4.370 3.960 0.000 0.000 0.260 52 G C -1.103 173.887 174.900 0.151 0.000 1.216 52 G CA -1.193 44.001 45.100 0.157 0.000 0.913 52 G HN 0.065 nan 8.290 nan 0.000 0.535 53 P HA -0.094 nan 4.420 nan 0.000 0.218 53 P C 1.624 179.000 177.300 0.126 0.000 1.149 53 P CA 1.820 64.983 63.100 0.106 0.000 0.817 53 P CB 0.179 31.925 31.700 0.077 0.000 0.785 54 A N -0.909 121.988 122.820 0.129 0.000 2.021 54 A HA 0.074 4.394 4.320 0.000 0.000 0.216 54 A C 2.182 179.881 177.584 0.192 0.000 1.163 54 A CA 0.820 52.925 52.037 0.114 0.000 0.676 54 A CB -0.988 18.047 19.000 0.059 0.000 0.818 54 A HN 0.154 nan 8.150 nan 0.000 0.453 55 L N -0.523 120.844 121.223 0.240 0.000 2.672 55 L HA 0.014 4.354 4.340 0.000 0.000 0.236 55 L C 2.557 179.603 176.870 0.293 0.000 1.092 55 L CA 0.822 55.839 54.840 0.296 0.000 0.887 55 L CB 0.035 42.306 42.059 0.353 0.000 1.168 55 L HN 0.459 nan 8.230 nan 0.000 0.502 56 S N 0.107 115.949 115.700 0.237 0.000 2.402 56 S HA -0.162 4.308 4.470 0.000 0.000 0.233 56 S C 1.648 176.319 174.600 0.119 0.000 1.030 56 S CA 1.005 59.317 58.200 0.187 0.000 1.003 56 S CB -0.213 63.071 63.200 0.141 0.000 0.813 56 S HN 0.262 nan 8.310 nan 0.000 0.477 57 K N 0.553 120.979 120.400 0.044 0.000 2.387 57 K HA 0.195 4.515 4.320 0.000 0.000 0.198 57 K C 0.153 176.503 176.600 -0.416 0.000 1.022 57 K CA 0.188 56.372 56.287 -0.172 0.000 1.128 57 K CB -0.007 32.342 32.500 -0.252 0.000 0.853 57 K HN 0.626 nan 8.250 nan 0.000 0.523 58 H N -0.237 118.876 119.070 0.073 0.000 2.750 58 H HA 0.193 4.749 4.556 0.000 0.000 0.252 58 H C 0.699 176.024 175.328 -0.006 0.000 1.176 58 H CA -0.081 55.981 56.048 0.024 0.000 0.987 58 H CB 0.756 30.510 29.762 -0.013 0.000 1.810 58 H HN 0.179 nan 8.280 nan 0.000 0.630 59 Q N -0.156 119.740 119.800 0.159 0.000 2.291 59 Q HA -0.164 4.176 4.340 0.000 0.000 0.206 59 Q C 1.628 177.705 176.000 0.128 0.000 0.976 59 Q CA 1.004 56.942 55.803 0.225 0.000 0.875 59 Q CB 0.040 28.942 28.738 0.273 0.000 0.927 59 Q HN 0.415 nan 8.270 nan 0.000 0.450 60 H N 0.297 119.358 119.070 -0.015 0.000 2.518 60 H HA -0.083 4.473 4.556 0.000 0.000 0.289 60 H C 1.785 177.043 175.328 -0.116 0.000 1.051 60 H CA 1.270 57.293 56.048 -0.041 0.000 1.280 60 H CB 0.041 29.787 29.762 -0.028 0.000 1.380 60 H HN 0.209 nan 8.280 nan 0.000 0.566 61 V N -2.031 117.696 119.914 -0.311 0.000 2.594 61 V HA -0.166 3.954 4.120 0.000 0.000 0.253 61 V C 1.790 177.560 176.094 -0.540 0.000 1.069 61 V CA 1.629 63.645 62.300 -0.474 0.000 1.082 61 V CB -1.198 30.328 31.823 -0.495 0.000 0.680 61 V HN 0.280 nan 8.190 nan 0.000 0.469 62 F N 0.416 120.240 119.950 -0.211 0.000 2.780 62 F HA 0.200 4.727 4.527 0.000 0.000 0.299 62 F C 1.839 177.538 175.800 -0.169 0.000 1.146 62 F CA 0.593 58.465 58.000 -0.214 0.000 1.428 62 F CB -0.066 38.814 39.000 -0.200 0.000 1.115 62 F HN 0.194 nan 8.300 nan 0.000 0.583 63 D N -0.350 119.988 120.400 -0.104 0.000 2.349 63 D HA 0.009 4.649 4.640 0.000 0.000 0.214 63 D C 0.852 177.022 176.300 -0.217 0.000 1.063 63 D CA 0.405 54.324 54.000 -0.134 0.000 0.847 63 D CB 0.085 40.807 40.800 -0.130 0.000 0.933 63 D HN 0.156 nan 8.370 nan 0.000 0.513 64 E N -0.065 119.976 120.200 -0.266 0.000 2.371 64 E HA 0.064 4.414 4.350 0.000 0.000 0.257 64 E C 1.333 177.833 176.600 -0.167 0.000 1.134 64 E CA 0.176 56.438 56.400 -0.230 0.000 0.919 64 E CB 0.763 30.322 29.700 -0.235 0.000 1.025 64 E HN 0.065 nan 8.360 nan 0.000 0.438 65 T N -2.921 111.538 114.554 -0.158 0.000 3.129 65 T HA 0.030 4.380 4.350 0.000 0.000 0.251 65 T C 0.800 175.405 174.700 -0.158 0.000 1.117 65 T CA 0.323 62.322 62.100 -0.168 0.000 1.034 65 T CB -0.205 68.565 68.868 -0.164 0.000 0.968 65 T HN 0.483 nan 8.240 nan 0.000 0.526 66 T N -1.593 112.874 114.554 -0.144 0.000 2.841 66 T HA 0.612 4.962 4.350 0.000 0.000 0.296 66 T C 0.460 175.065 174.700 -0.157 0.000 1.166 66 T CA -1.022 60.991 62.100 -0.146 0.000 1.007 66 T CB 1.310 70.094 68.868 -0.139 0.000 1.253 66 T HN -0.004 nan 8.240 nan 0.000 0.511 67 L N 0.947 122.049 121.223 -0.201 0.000 2.599 67 L HA 0.156 4.496 4.340 0.000 0.000 0.230 67 L C 1.915 178.614 176.870 -0.284 0.000 1.141 67 L CA 0.113 54.815 54.840 -0.231 0.000 0.877 67 L CB -0.739 41.126 42.059 -0.323 0.000 1.009 67 L HN 0.624 nan 8.230 nan 0.000 0.447 68 N N 0.488 119.044 118.700 -0.239 0.000 2.061 68 N HA -0.200 4.540 4.740 0.000 0.000 0.193 68 N C 1.542 176.953 175.510 -0.165 0.000 1.030 68 N CA 1.471 54.397 53.050 -0.206 0.000 0.856 68 N CB -0.177 38.230 38.487 -0.134 0.000 1.023 68 N HN 0.251 nan 8.380 nan 0.000 0.424 69 N N -0.180 118.440 118.700 -0.134 0.000 2.188 69 N HA -0.091 4.649 4.740 0.000 0.000 0.184 69 N C 1.419 176.882 175.510 -0.078 0.000 1.018 69 N CA 0.441 53.429 53.050 -0.103 0.000 0.858 69 N CB -0.463 37.958 38.487 -0.110 0.000 0.989 69 N HN 0.204 nan 8.380 nan 0.000 0.426 70 F N 1.582 121.361 119.950 -0.285 0.000 2.134 70 F HA -0.007 4.520 4.527 0.000 0.000 0.299 70 F C 2.150 177.915 175.800 -0.058 0.000 1.097 70 F CA 1.115 58.960 58.000 -0.260 0.000 1.264 70 F CB -0.392 38.398 39.000 -0.350 0.000 1.001 70 F HN -0.076 nan 8.300 nan 0.000 0.479 71 M N -0.088 119.253 119.600 -0.432 0.000 2.108 71 M HA -0.157 4.323 4.480 0.000 0.000 0.261 71 M C 2.366 178.718 176.300 0.086 0.000 1.066 71 M CA 1.907 56.940 55.300 -0.446 0.000 1.107 71 M CB -1.240 30.960 32.600 -0.667 0.000 1.356 71 M HN 0.292 nan 8.290 nan 0.000 0.406 72 G N -0.330 108.455 108.800 -0.026 0.000 2.598 72 G HA2 -0.044 3.916 3.960 0.000 0.000 0.215 72 G HA3 -0.044 3.916 3.960 0.000 0.000 0.215 72 G C 1.437 176.302 174.900 -0.059 0.000 1.131 72 G CA 0.168 45.269 45.100 0.001 0.000 0.785 72 G HN 0.338 nan 8.290 nan 0.000 0.539 73 L N 0.033 121.198 121.223 -0.098 0.000 2.201 73 L HA 0.200 4.540 4.340 0.000 0.000 0.212 73 L C 1.669 178.293 176.870 -0.411 0.000 1.105 73 L CA 0.639 55.336 54.840 -0.238 0.000 0.775 73 L CB -0.750 41.177 42.059 -0.221 0.000 0.913 73 L HN 0.428 nan 8.230 nan 0.000 0.440 74 G N -0.112 108.313 108.800 -0.624 0.000 2.710 74 G HA2 -0.261 3.699 3.960 0.000 0.000 0.668 74 G HA3 -0.261 3.699 3.960 0.000 0.000 0.668 74 G C 0.364 174.120 174.900 -1.908 0.000 1.320 74 G CA 0.060 44.451 45.100 -1.181 0.000 0.860 74 G HN 0.353 nan 8.290 nan 0.000 0.538 75 Q N -0.688 118.158 119.800 -1.590 0.000 2.167 75 Q HA 0.152 4.492 4.340 0.000 0.000 0.202 75 Q C 2.692 178.391 176.000 -0.500 0.000 0.970 75 Q CA 2.479 57.623 55.803 -1.099 0.000 0.855 75 Q CB -0.234 28.187 28.738 -0.528 0.000 0.911 75 Q HN 1.617 nan 8.270 nan 0.000 0.438 76 A N 1.670 124.247 122.820 -0.405 0.000 1.902 76 A HA -0.005 4.315 4.320 0.000 0.000 0.217 76 A C 2.434 179.953 177.584 -0.108 0.000 1.181 76 A CA 1.608 53.536 52.037 -0.182 0.000 0.623 76 A CB -0.903 18.012 19.000 -0.141 0.000 0.818 76 A HN 0.545 nan 8.150 nan 0.000 0.443 77 A N -0.991 121.706 122.820 -0.205 0.000 1.898 77 A HA -0.103 4.217 4.320 0.000 0.000 0.216 77 A C 1.982 179.700 177.584 0.224 0.000 1.181 77 A CA 1.423 53.454 52.037 -0.010 0.000 0.620 77 A CB -0.778 18.171 19.000 -0.086 0.000 0.819 77 A HN 0.743 nan 8.150 nan 0.000 0.442 78 W N 0.404 121.721 121.300 0.028 0.000 2.358 78 W HA -0.053 4.607 4.660 0.000 0.000 0.303 78 W C 2.070 178.693 176.519 0.173 0.000 1.208 78 W CA 1.112 58.496 57.345 0.065 0.000 1.274 78 W CB -1.028 28.361 29.460 -0.118 0.000 1.138 78 W HN 0.347 nan 8.180 nan 0.000 0.515 79 K N 0.222 120.804 120.400 0.302 0.000 2.097 79 K HA -0.177 4.143 4.320 0.000 0.000 0.205 79 K C 1.908 178.648 176.600 0.233 0.000 1.050 79 K CA 1.532 57.959 56.287 0.234 0.000 0.938 79 K CB -0.379 32.208 32.500 0.144 0.000 0.718 79 K HN 0.134 nan 8.250 nan 0.000 0.442 80 E N 0.749 121.086 120.200 0.228 0.000 2.072 80 E HA -0.184 4.166 4.350 0.000 0.000 0.191 80 E C 1.941 178.745 176.600 0.340 0.000 0.985 80 E CA 0.961 57.507 56.400 0.244 0.000 0.801 80 E CB -0.001 29.830 29.700 0.219 0.000 0.750 80 E HN 0.312 nan 8.360 nan 0.000 0.452 81 A N 1.520 124.591 122.820 0.419 0.000 1.877 81 A HA -0.218 4.102 4.320 0.000 0.000 0.216 81 A C 2.201 180.062 177.584 0.463 0.000 1.186 81 A CA 1.697 54.013 52.037 0.465 0.000 0.620 81 A CB -0.581 18.712 19.000 0.489 0.000 0.822 81 A HN 0.231 nan 8.150 nan 0.000 0.443 82 R N -0.461 120.284 120.500 0.408 0.000 2.075 82 R HA -0.060 4.280 4.340 0.000 0.000 0.232 82 R C 2.271 178.693 176.300 0.204 0.000 1.126 82 R CA 1.406 57.683 56.100 0.295 0.000 0.963 82 R CB -0.399 30.056 30.300 0.258 0.000 0.858 82 R HN 0.427 nan 8.270 nan 0.000 0.435 83 A N 0.139 123.078 122.820 0.198 0.000 1.902 83 A HA -0.115 4.205 4.320 0.000 0.000 0.217 83 A C 2.182 179.846 177.584 0.133 0.000 1.181 83 A CA 1.820 53.943 52.037 0.142 0.000 0.623 83 A CB -0.519 18.561 19.000 0.133 0.000 0.818 83 A HN 0.429 nan 8.150 nan 0.000 0.443 84 S N -0.036 115.777 115.700 0.189 0.000 2.368 84 S HA -0.119 4.351 4.470 0.000 0.000 0.225 84 S C 1.833 176.458 174.600 0.041 0.000 1.030 84 S CA 1.531 59.801 58.200 0.118 0.000 0.999 84 S CB -0.475 62.832 63.200 0.178 0.000 0.844 84 S HN 0.504 nan 8.310 nan 0.000 0.459 85 L N 1.205 122.497 121.223 0.116 0.000 2.017 85 L HA -0.182 4.158 4.340 0.000 0.000 0.208 85 L C 2.773 179.654 176.870 0.017 0.000 1.073 85 L CA 1.309 56.177 54.840 0.047 0.000 0.745 85 L CB -0.584 41.528 42.059 0.089 0.000 0.894 85 L HN 0.330 nan 8.230 nan 0.000 0.432 86 Q N -0.236 119.586 119.800 0.035 0.000 2.096 86 Q HA -0.204 4.136 4.340 0.000 0.000 0.204 86 Q C 1.988 177.999 176.000 0.018 0.000 0.982 86 Q CA 1.612 57.422 55.803 0.012 0.000 0.850 86 Q CB -0.147 28.604 28.738 0.022 0.000 0.901 86 Q HN 0.485 nan 8.270 nan 0.000 0.422 87 N N 0.151 118.869 118.700 0.031 0.000 2.331 87 N HA -0.055 4.685 4.740 0.000 0.000 0.180 87 N C 1.704 177.240 175.510 0.044 0.000 1.019 87 N CA 0.799 53.870 53.050 0.034 0.000 0.881 87 N CB 0.015 38.522 38.487 0.032 0.000 0.972 87 N HN 0.230 nan 8.380 nan 0.000 0.435 88 L N 0.299 121.544 121.223 0.036 0.000 2.072 88 L HA 0.001 4.341 4.340 0.000 0.000 0.205 88 L C 2.102 179.097 176.870 0.207 0.000 1.079 88 L CA 0.645 55.538 54.840 0.089 0.000 0.752 88 L CB -0.304 41.770 42.059 0.026 0.000 0.906 88 L HN 0.070 nan 8.230 nan 0.000 0.436 89 L N -0.467 120.802 121.223 0.075 0.000 2.156 89 L HA -0.126 4.214 4.340 0.000 0.000 0.208 89 L C 2.698 179.600 176.870 0.053 0.000 1.095 89 L CA 1.257 56.059 54.840 -0.064 0.000 0.770 89 L CB -0.394 41.558 42.059 -0.178 0.000 0.914 89 L HN 0.364 nan 8.230 nan 0.000 0.439 90 S N -0.317 115.427 115.700 0.074 0.000 2.522 90 S HA 0.098 4.568 4.470 0.000 0.000 0.227 90 S C 1.469 176.150 174.600 0.136 0.000 0.986 90 S CA 0.367 58.617 58.200 0.083 0.000 0.929 90 S CB 0.126 63.348 63.200 0.037 0.000 0.769 90 S HN 0.405 nan 8.310 nan 0.000 0.529 91 A N 0.498 123.427 122.820 0.183 0.000 2.861 91 A HA -0.246 4.074 4.320 0.000 0.000 0.261 91 A C 1.759 179.374 177.584 0.052 0.000 1.351 91 A CA 1.220 53.326 52.037 0.116 0.000 0.904 91 A CB -2.923 16.119 19.000 0.070 0.000 1.076 91 A HN 0.824 nan 8.150 nan 0.000 0.729 92 S N -0.960 114.770 115.700 0.049 0.000 2.374 92 S HA -0.156 4.314 4.470 0.000 0.000 0.227 92 S C 0.952 175.565 174.600 0.022 0.000 1.037 92 S CA 1.836 60.053 58.200 0.029 0.000 1.024 92 S CB -0.220 62.997 63.200 0.028 0.000 0.861 92 S HN 0.685 nan 8.310 nan 0.000 0.456 93 Q N 0.502 120.318 119.800 0.026 0.000 2.431 93 Q HA 0.494 4.834 4.340 0.000 0.000 0.249 93 Q C 0.145 176.153 176.000 0.014 0.000 1.025 93 Q CA -0.023 55.788 55.803 0.013 0.000 0.835 93 Q CB 1.227 29.968 28.738 0.004 0.000 1.207 93 Q HN 0.396 nan 8.270 nan 0.000 0.490 94 A N 2.600 125.418 122.820 -0.004 0.000 2.238 94 A HA -0.058 4.262 4.320 0.000 0.000 0.208 94 A C 1.885 179.441 177.584 -0.046 0.000 1.177 94 A CA 0.286 52.307 52.037 -0.027 0.000 0.804 94 A CB -0.044 18.931 19.000 -0.042 0.000 0.823 94 A HN 0.443 nan 8.150 nan 0.000 0.482 95 R N -0.074 120.410 120.500 -0.026 0.000 2.096 95 R HA -0.151 4.189 4.340 0.000 0.000 0.240 95 R C 1.750 178.032 176.300 -0.029 0.000 1.139 95 R CA 2.040 58.123 56.100 -0.029 0.000 0.952 95 R CB -0.856 29.430 30.300 -0.024 0.000 0.854 95 R HN 0.441 nan 8.270 nan 0.000 0.436 96 L N 0.580 121.806 121.223 0.004 0.000 2.109 96 L HA 0.023 4.363 4.340 0.000 0.000 0.207 96 L C 2.400 179.242 176.870 -0.047 0.000 1.086 96 L CA 1.807 56.685 54.840 0.064 0.000 0.760 96 L CB -0.577 41.600 42.059 0.197 0.000 0.910 96 L HN 0.209 nan 8.230 nan 0.000 0.437 97 R N -0.810 119.515 120.500 -0.292 0.000 2.092 97 R HA -0.136 4.204 4.340 0.000 0.000 0.231 97 R C 1.190 177.248 176.300 -0.403 0.000 1.119 97 R CA 1.803 57.410 56.100 -0.823 0.000 0.970 97 R CB -0.080 29.692 30.300 -0.879 0.000 0.864 97 R HN 0.403 nan 8.270 nan 0.000 0.440 98 D N -0.183 120.086 120.400 -0.219 0.000 2.366 98 D HA -0.030 4.610 4.640 0.000 0.000 0.205 98 D C -0.283 175.967 176.300 -0.083 0.000 1.022 98 D CA 0.397 54.314 54.000 -0.138 0.000 0.868 98 D CB 0.066 40.804 40.800 -0.104 0.000 0.953 98 D HN 0.109 nan 8.370 nan 0.000 0.514 99 D N 1.425 121.788 120.400 -0.061 0.000 2.453 99 D HA 0.006 4.646 4.640 0.000 0.000 0.223 99 D C 1.161 177.453 176.300 -0.013 0.000 1.183 99 D CA -0.057 53.926 54.000 -0.028 0.000 0.933 99 D CB 0.684 41.475 40.800 -0.014 0.000 1.038 99 D HN -0.105 nan 8.370 nan 0.000 0.513 100 K N 2.719 123.109 120.400 -0.016 0.000 2.097 100 K HA -0.148 4.172 4.320 0.000 0.000 0.206 100 K C 1.510 178.124 176.600 0.023 0.000 1.049 100 K CA 0.729 57.014 56.287 -0.002 0.000 0.933 100 K CB 0.268 32.762 32.500 -0.011 0.000 0.717 100 K HN 0.358 nan 8.250 nan 0.000 0.442 101 E N 0.977 121.188 120.200 0.018 0.000 2.072 101 E HA -0.194 4.156 4.350 0.000 0.000 0.191 101 E C 2.051 178.673 176.600 0.036 0.000 0.985 101 E CA 0.874 57.289 56.400 0.026 0.000 0.801 101 E CB -0.058 29.653 29.700 0.018 0.000 0.750 101 E HN 0.245 nan 8.360 nan 0.000 0.452 102 L N 1.400 122.642 121.223 0.033 0.000 2.027 102 L HA -0.101 4.239 4.340 0.000 0.000 0.206 102 L C 2.750 179.657 176.870 0.061 0.000 1.074 102 L CA 1.816 56.677 54.840 0.036 0.000 0.745 102 L CB -0.530 41.544 42.059 0.024 0.000 0.898 102 L HN -0.007 nan 8.230 nan 0.000 0.433 103 R N -0.780 119.776 120.500 0.094 0.000 2.103 103 R HA -0.215 4.125 4.340 0.000 0.000 0.242 103 R C 2.230 178.674 176.300 0.241 0.000 1.142 103 R CA 2.152 58.377 56.100 0.209 0.000 0.960 103 R CB -0.247 30.157 30.300 0.173 0.000 0.858 103 R HN 0.573 nan 8.270 nan 0.000 0.439 104 Q N -0.758 119.127 119.800 0.143 0.000 2.369 104 Q HA -0.060 4.280 4.340 0.000 0.000 0.206 104 Q C 1.899 177.968 176.000 0.115 0.000 0.963 104 Q CA 0.796 56.677 55.803 0.131 0.000 0.894 104 Q CB 0.228 29.014 28.738 0.082 0.000 0.965 104 Q HN 0.335 nan 8.270 nan 0.000 0.475 105 R N -0.455 120.098 120.500 0.088 0.000 2.210 105 R HA 0.109 4.449 4.340 0.000 0.000 0.203 105 R C 1.831 178.158 176.300 0.046 0.000 1.010 105 R CA 0.759 56.897 56.100 0.064 0.000 1.008 105 R CB 0.174 30.501 30.300 0.045 0.000 0.923 105 R HN 0.102 nan 8.270 nan 0.000 0.469 106 A N 0.432 123.258 122.820 0.010 0.000 1.984 106 A HA 0.138 4.458 4.320 0.000 0.000 0.214 106 A C 0.395 177.800 177.584 -0.299 0.000 1.173 106 A CA 0.388 52.322 52.037 -0.172 0.000 0.673 106 A CB 0.217 19.030 19.000 -0.311 0.000 0.830 106 A HN 0.065 nan 8.150 nan 0.000 0.453 107 F N -0.199 119.777 119.950 0.044 0.000 2.415 107 F HA 0.558 5.085 4.527 0.000 0.000 0.348 107 F C 0.523 176.331 175.800 0.013 0.000 1.119 107 F CA -0.154 57.851 58.000 0.009 0.000 1.069 107 F CB 1.976 40.986 39.000 0.017 0.000 1.124 107 F HN -0.090 nan 8.300 nan 0.000 0.472 108 T N 1.680 116.321 114.554 0.144 0.000 2.906 108 T HA 0.348 4.698 4.350 0.000 0.000 0.295 108 T C -0.636 174.093 174.700 0.047 0.000 1.061 108 T CA -0.552 61.606 62.100 0.097 0.000 1.000 108 T CB 1.560 70.495 68.868 0.113 0.000 1.103 108 T HN 0.523 nan 8.240 nan 0.000 0.486 109 S N 1.865 117.596 115.700 0.052 0.000 2.549 109 S HA 0.131 4.601 4.470 0.000 0.000 0.279 109 S C 1.377 175.992 174.600 0.024 0.000 1.321 109 S CA -0.075 58.145 58.200 0.033 0.000 1.054 109 S CB 0.691 63.917 63.200 0.044 0.000 0.899 109 S HN 0.781 nan 8.310 nan 0.000 0.497 110 Q N 3.341 123.147 119.800 0.010 0.000 2.124 110 Q HA -0.128 4.212 4.340 0.000 0.000 0.202 110 Q C 2.366 178.413 176.000 0.078 0.000 0.977 110 Q CA 1.651 57.480 55.803 0.043 0.000 0.850 110 Q CB -0.300 28.463 28.738 0.043 0.000 0.901 110 Q HN 0.914 nan 8.270 nan 0.000 0.429 111 A N -0.003 122.857 122.820 0.067 0.000 2.024 111 A HA -0.144 4.176 4.320 0.000 0.000 0.220 111 A C 1.996 179.622 177.584 0.070 0.000 1.164 111 A CA 1.627 53.706 52.037 0.070 0.000 0.643 111 A CB -0.135 18.899 19.000 0.057 0.000 0.806 111 A HN 0.213 nan 8.150 nan 0.000 0.451 112 S N -1.134 114.609 115.700 0.072 0.000 2.540 112 S HA 0.521 4.991 4.470 0.000 0.000 0.218 112 S C 0.691 175.353 174.600 0.103 0.000 0.977 112 S CA 0.217 58.464 58.200 0.078 0.000 0.918 112 S CB 0.063 63.307 63.200 0.075 0.000 0.806 112 S HN 0.723 nan 8.310 nan 0.000 0.496 113 A N 1.305 124.195 122.820 0.117 0.000 2.295 113 A HA 0.682 5.002 4.320 0.000 0.000 0.318 113 A C 0.019 177.679 177.584 0.127 0.000 1.134 113 A CA -0.306 51.834 52.037 0.171 0.000 0.827 113 A CB 0.579 19.688 19.000 0.181 0.000 1.136 113 A HN 0.165 nan 8.150 nan 0.000 0.493 114 T N 3.529 118.162 114.554 0.132 0.000 2.797 114 T HA 0.494 4.844 4.350 0.000 0.000 0.279 114 T C -0.149 174.516 174.700 -0.058 0.000 0.991 114 T CA -0.364 61.739 62.100 0.005 0.000 0.979 114 T CB 0.639 69.487 68.868 -0.033 0.000 0.943 114 T HN 0.540 nan 8.240 nan 0.000 0.444 115 M N 3.285 122.782 119.600 -0.171 0.000 2.409 115 M HA 0.443 4.923 4.480 0.000 0.000 0.329 115 M C 0.228 176.282 176.300 -0.411 0.000 1.180 115 M CA -0.541 54.635 55.300 -0.207 0.000 1.053 115 M CB 0.924 33.387 32.600 -0.228 0.000 1.586 115 M HN 0.618 nan 8.290 nan 0.000 0.461 116 H N 0.737 119.743 119.070 -0.107 0.000 2.797 116 H HA 0.491 5.047 4.556 0.000 0.000 0.362 116 H C -0.608 174.663 175.328 -0.095 0.000 1.183 116 H CA -1.006 54.991 56.048 -0.085 0.000 1.197 116 H CB 1.537 31.249 29.762 -0.083 0.000 1.835 116 H HN 0.505 nan 8.280 nan 0.000 0.567 117 L N 3.149 124.409 121.223 0.062 0.000 2.578 117 L HA -0.052 4.288 4.340 0.000 0.000 0.279 117 L C -1.045 175.811 176.870 -0.023 0.000 1.227 117 L CA -0.981 53.873 54.840 0.023 0.000 0.900 117 L CB 0.377 42.455 42.059 0.032 0.000 1.144 117 L HN 0.455 nan 8.230 nan 0.000 0.496 118 P HA -0.002 nan 4.420 nan 0.000 0.229 118 P C -0.084 177.057 177.300 -0.265 0.000 1.160 118 P CA 0.677 63.674 63.100 -0.171 0.000 0.777 118 P CB 0.460 32.031 31.700 -0.215 0.000 0.814 119 A N -1.210 121.474 122.820 -0.226 0.000 2.587 119 A HA 0.550 4.870 4.320 0.000 0.000 0.293 119 A C -0.688 176.857 177.584 -0.065 0.000 1.087 119 A CA -0.384 51.521 52.037 -0.220 0.000 0.692 119 A CB 0.573 19.331 19.000 -0.403 0.000 1.291 119 A HN -0.172 nan 8.150 nan 0.000 0.407 120 T N 2.167 116.685 114.554 -0.059 0.000 2.743 120 T HA 0.349 4.699 4.350 0.000 0.000 0.290 120 T C 0.082 174.797 174.700 0.025 0.000 0.908 120 T CA 0.572 62.663 62.100 -0.015 0.000 1.092 120 T CB -0.758 68.091 68.868 -0.032 0.000 0.882 120 T HN 0.357 nan 8.240 nan 0.000 0.531 121 I N 3.485 124.092 120.570 0.062 0.000 2.308 121 I HA 0.206 4.376 4.170 0.000 0.000 0.293 121 I C 1.663 177.816 176.117 0.061 0.000 1.078 121 I CA -0.251 61.108 61.300 0.099 0.000 1.292 121 I CB 0.888 38.955 38.000 0.111 0.000 1.423 121 I HN 0.766 nan 8.210 nan 0.000 0.493 122 G N 5.368 114.196 108.800 0.048 0.000 2.404 122 G HA2 -0.075 3.885 3.960 0.000 0.000 0.215 122 G HA3 -0.075 3.885 3.960 0.000 0.000 0.215 122 G C 0.399 175.318 174.900 0.032 0.000 1.174 122 G CA 0.581 45.698 45.100 0.027 0.000 0.780 122 G HN 0.541 nan 8.290 nan 0.000 0.537 123 D N -2.087 118.338 120.400 0.041 0.000 2.857 123 D HA 0.341 4.981 4.640 0.000 0.000 0.227 123 D C -1.806 174.549 176.300 0.091 0.000 1.192 123 D CA -0.516 53.511 54.000 0.046 0.000 0.857 123 D CB 2.436 43.239 40.800 0.005 0.000 1.645 123 D HN 0.201 nan 8.370 nan 0.000 0.482 124 Y N 0.598 120.875 120.300 -0.039 0.000 2.364 124 Y HA 0.498 5.048 4.550 0.000 0.000 0.340 124 Y C -1.103 174.743 175.900 -0.089 0.000 0.975 124 Y CA -0.256 57.794 58.100 -0.084 0.000 1.089 124 Y CB 1.749 40.156 38.460 -0.089 0.000 1.192 124 Y HN 0.119 nan 8.280 nan 0.000 0.454 125 T N 5.247 119.573 114.554 -0.381 0.000 2.841 125 T HA 0.199 4.549 4.350 0.000 0.000 0.283 125 T C -1.787 172.440 174.700 -0.789 0.000 1.000 125 T CA -0.609 61.106 62.100 -0.642 0.000 0.977 125 T CB 1.298 70.024 68.868 -0.236 0.000 0.979 125 T HN 0.600 nan 8.240 nan 0.000 0.446 126 D N 1.433 121.169 120.400 -1.106 0.000 2.344 126 D HA 0.508 5.148 4.640 0.000 0.000 0.239 126 D C -0.621 175.348 176.300 -0.552 0.000 1.064 126 D CA -0.520 53.082 54.000 -0.663 0.000 0.829 126 D CB 0.532 40.910 40.800 -0.704 0.000 1.129 126 D HN 0.195 nan 8.370 nan 0.000 0.506 127 F N 1.870 121.803 119.950 -0.029 0.000 2.251 127 F HA 0.323 4.850 4.527 0.000 0.000 0.302 127 F C 0.361 176.340 175.800 0.299 0.000 1.143 127 F CA -0.414 57.648 58.000 0.104 0.000 1.104 127 F CB 0.511 39.580 39.000 0.115 0.000 1.516 127 F HN 0.319 nan 8.300 nan 0.000 0.511 128 Y N -0.290 120.256 120.300 0.410 0.000 2.810 128 Y HA 0.278 4.828 4.550 -0.000 0.000 0.255 128 Y C 0.271 176.529 175.900 0.596 0.000 0.979 128 Y CA -0.871 57.499 58.100 0.451 0.000 1.106 128 Y CB -0.099 38.619 38.460 0.429 0.000 1.209 128 Y HN 0.373 nan 8.280 nan 0.000 0.646 129 S N -0.587 115.442 115.700 0.548 0.000 2.575 129 S HA 0.056 4.526 4.470 0.000 0.000 0.215 129 S C 0.680 175.654 174.600 0.623 0.000 0.966 129 S CA 0.293 58.819 58.200 0.544 0.000 0.911 129 S CB 0.061 63.521 63.200 0.433 0.000 0.780 129 S HN 0.418 nan 8.310 nan 0.000 0.514 130 S N 1.665 117.676 115.700 0.518 0.000 2.430 130 S HA 0.314 4.784 4.470 0.000 0.000 0.289 130 S C 1.062 175.803 174.600 0.235 0.000 1.143 130 S CA -0.752 57.671 58.200 0.372 0.000 1.067 130 S CB 0.760 64.121 63.200 0.268 0.000 0.964 130 S HN 0.416 nan 8.310 nan 0.000 0.485 131 R N 2.966 123.553 120.500 0.145 0.000 2.105 131 R HA -0.138 4.202 4.340 0.000 0.000 0.239 131 R C 2.047 178.104 176.300 -0.406 0.000 1.135 131 R CA 1.913 57.752 56.100 -0.435 0.000 0.967 131 R CB -0.241 29.864 30.300 -0.326 0.000 0.861 131 R HN 0.732 nan 8.270 nan 0.000 0.442 132 Q N -0.661 119.034 119.800 -0.175 0.000 2.123 132 Q HA -0.181 4.159 4.340 0.000 0.000 0.199 132 Q C 1.753 177.610 176.000 -0.238 0.000 0.966 132 Q CA 2.036 57.727 55.803 -0.186 0.000 0.845 132 Q CB -0.208 28.486 28.738 -0.074 0.000 0.907 132 Q HN 0.538 nan 8.270 nan 0.000 0.439 133 H N -0.598 118.340 119.070 -0.221 0.000 2.293 133 H HA -0.011 4.545 4.556 0.000 0.000 0.300 133 H C 1.652 176.800 175.328 -0.299 0.000 1.082 133 H CA 2.218 58.136 56.048 -0.216 0.000 1.308 133 H CB -0.329 29.404 29.762 -0.049 0.000 1.375 133 H HN 0.298 nan 8.280 nan 0.000 0.495 134 A N -0.581 121.918 122.820 -0.534 0.000 1.940 134 A HA -0.196 4.124 4.320 0.000 0.000 0.219 134 A C 2.505 179.712 177.584 -0.629 0.000 1.176 134 A CA 2.156 53.704 52.037 -0.815 0.000 0.631 134 A CB -1.113 17.023 19.000 -1.440 0.000 0.814 134 A HN 0.592 nan 8.150 nan 0.000 0.446 135 T N 0.541 114.746 114.554 -0.582 0.000 2.746 135 T HA -0.122 4.228 4.350 0.000 0.000 0.267 135 T C 1.852 176.374 174.700 -0.297 0.000 1.039 135 T CA 1.507 63.367 62.100 -0.400 0.000 1.142 135 T CB -0.369 68.294 68.868 -0.342 0.000 0.866 135 T HN 0.507 nan 8.240 nan 0.000 0.444 136 N N 0.873 119.363 118.700 -0.349 0.000 2.135 136 N HA -0.031 4.709 4.740 0.000 0.000 0.186 136 N C 2.025 177.225 175.510 -0.517 0.000 1.027 136 N CA 0.691 53.556 53.050 -0.308 0.000 0.849 136 N CB -0.809 37.413 38.487 -0.441 0.000 1.002 136 N HN 0.182 nan 8.380 nan 0.000 0.425 137 V N 1.043 120.573 119.914 -0.640 0.000 2.287 137 V HA -0.202 3.918 4.120 0.000 0.000 0.248 137 V C 2.429 178.181 176.094 -0.571 0.000 1.053 137 V CA 2.123 63.955 62.300 -0.782 0.000 1.027 137 V CB -1.331 30.011 31.823 -0.801 0.000 0.646 137 V HN 0.359 nan 8.190 nan 0.000 0.447 138 G N -0.057 108.536 108.800 -0.345 0.000 2.446 138 G HA2 -0.238 3.722 3.960 0.000 0.000 0.217 138 G HA3 -0.238 3.722 3.960 0.000 0.000 0.217 138 G C 1.564 176.425 174.900 -0.066 0.000 1.168 138 G CA 1.197 46.202 45.100 -0.157 0.000 0.771 138 G HN 0.498 nan 8.290 nan 0.000 0.551 139 I N 0.387 120.922 120.570 -0.058 0.000 2.163 139 I HA -0.242 3.928 4.170 0.000 0.000 0.243 139 I C 2.973 179.153 176.117 0.106 0.000 1.085 139 I CA 1.316 62.672 61.300 0.092 0.000 1.347 139 I CB -0.237 37.934 38.000 0.284 0.000 1.044 139 I HN 0.172 nan 8.210 nan 0.000 0.408 140 M N -0.798 118.745 119.600 -0.095 0.000 2.213 140 M HA -0.179 4.301 4.480 0.000 0.000 0.263 140 M C 2.016 178.455 176.300 0.231 0.000 1.062 140 M CA 2.083 57.315 55.300 -0.114 0.000 1.105 140 M CB -0.174 32.116 32.600 -0.517 0.000 1.385 140 M HN 0.203 nan 8.290 nan 0.000 0.417 141 F N -1.572 118.314 119.950 -0.107 0.000 2.653 141 F HA 0.115 4.642 4.527 0.000 0.000 0.288 141 F C 1.986 177.787 175.800 0.002 0.000 1.121 141 F CA 0.030 58.002 58.000 -0.047 0.000 1.384 141 F CB 0.434 39.405 39.000 -0.049 0.000 1.115 141 F HN -0.038 nan 8.300 nan 0.000 0.599 142 R N -0.438 120.184 120.500 0.204 0.000 2.568 142 R HA 0.318 4.658 4.340 0.000 0.000 0.254 142 R C 0.074 176.429 176.300 0.091 0.000 0.925 142 R CA 0.388 56.569 56.100 0.133 0.000 1.025 142 R CB 1.538 31.916 30.300 0.130 0.000 1.428 142 R HN 0.191 nan 8.270 nan 0.000 0.573 143 G N 1.529 110.385 108.800 0.093 0.000 2.663 143 G HA2 -0.223 3.737 3.960 0.000 0.000 0.686 143 G HA3 -0.223 3.737 3.960 0.000 0.000 0.686 143 G C -0.089 174.848 174.900 0.061 0.000 1.246 143 G CA -0.182 44.967 45.100 0.083 0.000 0.795 143 G HN 0.066 nan 8.290 nan 0.000 0.627 144 K N -0.074 120.363 120.400 0.062 0.000 2.044 144 K HA -0.203 4.117 4.320 0.000 0.000 0.210 144 K C 2.217 178.825 176.600 0.014 0.000 1.049 144 K CA 2.344 58.653 56.287 0.037 0.000 0.927 144 K CB -0.079 32.441 32.500 0.034 0.000 0.713 144 K HN 0.493 nan 8.250 nan 0.000 0.443 145 E N 0.554 120.765 120.200 0.019 0.000 2.347 145 E HA -0.087 4.263 4.350 0.000 0.000 0.196 145 E C 0.295 176.903 176.600 0.012 0.000 1.008 145 E CA 0.960 57.368 56.400 0.012 0.000 0.852 145 E CB 0.115 29.826 29.700 0.017 0.000 0.783 145 E HN 0.259 nan 8.360 nan 0.000 0.505 146 N N -0.209 118.501 118.700 0.018 0.000 2.389 146 N HA 0.193 4.933 4.740 0.000 0.000 0.260 146 N C 0.398 175.909 175.510 0.001 0.000 1.191 146 N CA 0.582 53.645 53.050 0.020 0.000 0.885 146 N CB 1.097 39.608 38.487 0.040 0.000 1.162 146 N HN 0.165 nan 8.380 nan 0.000 0.512 147 A N 0.521 123.321 122.820 -0.033 0.000 1.858 147 A HA 0.012 4.332 4.320 0.000 0.000 0.216 147 A C 0.994 178.495 177.584 -0.137 0.000 1.190 147 A CA 0.912 52.898 52.037 -0.084 0.000 0.617 147 A CB -0.119 18.815 19.000 -0.109 0.000 0.827 147 A HN 0.249 nan 8.150 nan 0.000 0.443 148 L N 0.658 121.794 121.223 -0.145 0.000 2.295 148 L HA 0.391 4.731 4.340 0.000 0.000 0.285 148 L C -0.570 176.297 176.870 -0.004 0.000 1.035 148 L CA -0.646 54.094 54.840 -0.166 0.000 0.806 148 L CB 1.588 43.499 42.059 -0.248 0.000 1.214 148 L HN 0.275 nan 8.230 nan 0.000 0.426 149 L N 4.360 125.631 121.223 0.080 0.000 2.464 149 L HA 0.163 4.503 4.340 0.000 0.000 0.264 149 L C -1.235 175.751 176.870 0.192 0.000 1.199 149 L CA -1.306 53.620 54.840 0.144 0.000 0.818 149 L CB 0.297 42.467 42.059 0.185 0.000 1.102 149 L HN 0.434 nan 8.230 nan 0.000 0.473 150 P HA -0.120 nan 4.420 nan 0.000 0.220 150 P C 0.595 178.077 177.300 0.303 0.000 1.148 150 P CA 0.975 64.198 63.100 0.205 0.000 0.803 150 P CB -0.029 31.761 31.700 0.149 0.000 0.782 151 N N -1.967 116.904 118.700 0.285 0.000 2.463 151 N HA -0.140 4.600 4.740 0.000 0.000 0.181 151 N C 1.508 177.223 175.510 0.340 0.000 1.078 151 N CA 0.296 53.532 53.050 0.309 0.000 0.902 151 N CB -1.432 37.172 38.487 0.196 0.000 0.970 151 N HN 0.238 nan 8.380 nan 0.000 0.451 152 W N 1.163 122.564 121.300 0.168 0.000 2.363 152 W HA 0.132 4.792 4.660 0.000 0.000 0.296 152 W C 1.280 177.947 176.519 0.246 0.000 1.212 152 W CA 0.998 58.437 57.345 0.156 0.000 1.260 152 W CB -0.004 29.495 29.460 0.064 0.000 1.131 152 W HN 0.026 nan 8.180 nan 0.000 0.530 153 L N -0.259 121.204 121.223 0.401 0.000 2.599 153 L HA -0.077 4.263 4.340 0.000 0.000 0.230 153 L C 1.804 178.778 176.870 0.173 0.000 1.141 153 L CA 0.366 55.342 54.840 0.227 0.000 0.877 153 L CB -0.623 41.428 42.059 -0.012 0.000 1.009 153 L HN 0.120 nan 8.230 nan 0.000 0.447 154 H N -0.389 118.904 119.070 0.371 0.000 2.604 154 H HA 0.302 4.858 4.556 -0.000 0.000 0.273 154 H C 0.043 175.438 175.328 0.110 0.000 0.971 154 H CA 0.330 56.545 56.048 0.279 0.000 1.249 154 H CB 0.863 30.724 29.762 0.164 0.000 1.449 154 H HN 0.162 nan 8.280 nan 0.000 0.512 155 L N -1.984 119.155 121.223 -0.139 0.000 2.469 155 L HA 0.526 4.866 4.340 0.000 0.000 0.256 155 L C -2.966 173.028 176.870 -1.460 0.000 1.006 155 L CA -2.476 51.844 54.840 -0.866 0.000 0.832 155 L CB 1.716 43.436 42.059 -0.564 0.000 1.421 155 L HN -0.327 nan 8.230 nan 0.000 0.410 156 P HA 0.161 nan 4.420 nan 0.000 0.268 156 P C -0.215 176.826 177.300 -0.432 0.000 1.541 156 P CA -0.095 62.154 63.100 -1.419 0.000 1.093 156 P CB 0.738 31.741 31.700 -1.161 0.000 1.551 157 V N 3.630 123.349 119.914 -0.325 0.000 2.694 157 V HA 0.352 4.472 4.120 0.000 0.000 0.306 157 V C 1.334 177.512 176.094 0.139 0.000 1.054 157 V CA 1.332 63.635 62.300 0.005 0.000 1.161 157 V CB 0.178 32.110 31.823 0.182 0.000 0.916 157 V HN 0.809 nan 8.190 nan 0.000 0.490 158 G N 3.712 112.479 108.800 -0.055 0.000 2.649 158 G HA2 0.708 4.668 3.960 0.000 0.000 0.290 158 G HA3 0.708 4.668 3.960 0.000 0.000 0.290 158 G C -1.665 173.049 174.900 -0.310 0.000 1.426 158 G CA -0.585 44.293 45.100 -0.370 0.000 0.794 158 G HN 0.886 nan 8.290 nan 0.000 0.483 159 Y N -1.770 118.212 120.300 -0.529 0.000 2.588 159 Y HA 0.736 5.287 4.550 0.000 0.000 0.343 159 Y C -0.422 175.177 175.900 -0.501 0.000 1.065 159 Y CA -1.490 56.320 58.100 -0.484 0.000 1.038 159 Y CB 0.810 39.102 38.460 -0.281 0.000 1.297 159 Y HN 0.662 nan 8.280 nan 0.000 0.467 160 H N 1.024 119.943 119.070 -0.253 0.000 2.803 160 H HA 0.473 5.029 4.556 0.000 0.000 0.330 160 H C 0.473 175.609 175.328 -0.320 0.000 1.057 160 H CA 0.377 56.245 56.048 -0.300 0.000 1.458 160 H CB 1.073 30.781 29.762 -0.090 0.000 1.470 160 H HN 0.998 nan 8.280 nan 0.000 0.560 161 G N 1.317 109.836 108.800 -0.467 0.000 2.613 161 G HA2 0.360 4.320 3.960 0.000 0.000 0.303 161 G HA3 0.360 4.320 3.960 0.000 0.000 0.303 161 G C -0.668 174.264 174.900 0.053 0.000 1.312 161 G CA -0.958 43.931 45.100 -0.352 0.000 1.036 161 G HN 0.515 nan 8.290 nan 0.000 0.513 162 R N -0.369 120.269 120.500 0.230 0.000 2.202 162 R HA 0.540 4.880 4.340 0.000 0.000 0.334 162 R C 1.005 177.447 176.300 0.237 0.000 1.036 162 R CA 0.395 56.610 56.100 0.191 0.000 0.878 162 R CB 0.872 31.235 30.300 0.104 0.000 1.067 162 R HN 0.425 nan 8.270 nan 0.000 0.457 163 A N 2.787 125.708 122.820 0.169 0.000 1.929 163 A HA -0.099 4.221 4.320 0.000 0.000 0.216 163 A C 1.832 179.446 177.584 0.050 0.000 1.176 163 A CA 1.413 53.523 52.037 0.122 0.000 0.628 163 A CB -0.565 18.493 19.000 0.096 0.000 0.816 163 A HN 0.856 nan 8.150 nan 0.000 0.444 164 S N 0.612 116.339 115.700 0.045 0.000 2.419 164 S HA -0.127 4.343 4.470 0.000 0.000 0.233 164 S C 1.650 176.256 174.600 0.010 0.000 1.016 164 S CA 1.601 59.816 58.200 0.024 0.000 0.974 164 S CB -0.698 62.516 63.200 0.023 0.000 0.786 164 S HN 0.868 nan 8.310 nan 0.000 0.492 165 S N 0.502 116.206 115.700 0.006 0.000 2.582 165 S HA 0.419 4.889 4.470 0.000 0.000 0.234 165 S C 0.244 174.821 174.600 -0.038 0.000 0.961 165 S CA -0.759 57.434 58.200 -0.013 0.000 0.953 165 S CB -0.744 62.447 63.200 -0.016 0.000 0.800 165 S HN 0.510 nan 8.310 nan 0.000 0.471 166 I N 3.218 123.754 120.570 -0.058 0.000 2.452 166 I HA 0.272 4.442 4.170 0.000 0.000 0.287 166 I C 0.040 176.136 176.117 -0.035 0.000 1.079 166 I CA -0.589 60.653 61.300 -0.097 0.000 1.387 166 I CB 0.886 38.780 38.000 -0.176 0.000 1.404 166 I HN 0.178 nan 8.210 nan 0.000 0.522 167 V N 4.849 124.757 119.914 -0.010 0.000 2.914 167 V HA 0.562 4.682 4.120 0.000 0.000 0.314 167 V C -0.259 175.851 176.094 0.027 0.000 1.084 167 V CA -0.910 61.397 62.300 0.012 0.000 0.963 167 V CB 1.868 33.700 31.823 0.015 0.000 1.025 167 V HN 0.419 nan 8.190 nan 0.000 0.432 168 V N 2.423 122.348 119.914 0.019 0.000 2.881 168 V HA 0.384 4.504 4.120 0.000 0.000 0.303 168 V C 1.091 177.206 176.094 0.034 0.000 1.070 168 V CA 0.659 62.968 62.300 0.016 0.000 1.074 168 V CB 1.716 33.526 31.823 -0.021 0.000 1.012 168 V HN 1.393 nan 8.190 nan 0.000 0.482 169 S N 4.083 119.811 115.700 0.047 0.000 2.642 169 S HA 0.267 4.737 4.470 0.000 0.000 0.308 169 S C 1.225 175.859 174.600 0.057 0.000 1.255 169 S CA 1.149 59.393 58.200 0.074 0.000 1.057 169 S CB -0.339 62.909 63.200 0.079 0.000 0.785 169 S HN 2.328 nan 8.310 nan 0.000 0.500 170 G N 3.200 112.050 108.800 0.083 0.000 2.213 170 G HA2 -0.216 3.744 3.960 0.000 0.000 0.226 170 G HA3 -0.216 3.744 3.960 0.000 0.000 0.226 170 G C 0.190 175.114 174.900 0.041 0.000 0.992 170 G CA 0.115 45.251 45.100 0.061 0.000 0.632 170 G HN 0.940 nan 8.290 nan 0.000 0.511 171 T N 3.880 118.457 114.554 0.038 0.000 2.834 171 T HA 0.470 4.820 4.350 0.000 0.000 0.298 171 T C -1.963 172.729 174.700 -0.013 0.000 0.966 171 T CA -0.228 61.878 62.100 0.009 0.000 1.141 171 T CB 1.482 70.355 68.868 0.008 0.000 0.905 171 T HN 0.164 nan 8.240 nan 0.000 0.535 172 P HA 0.223 nan 4.420 nan 0.000 0.269 172 P C -0.631 176.588 177.300 -0.136 0.000 1.209 172 P CA -0.400 62.656 63.100 -0.074 0.000 0.776 172 P CB 0.421 32.092 31.700 -0.049 0.000 0.876 173 I N 2.506 122.930 120.570 -0.243 0.000 2.382 173 I HA 0.335 4.505 4.170 0.000 0.000 0.286 173 I C 0.673 176.668 176.117 -0.204 0.000 1.002 173 I CA -0.711 60.399 61.300 -0.316 0.000 1.135 173 I CB 1.122 38.646 38.000 -0.794 0.000 1.288 173 I HN 0.331 nan 8.210 nan 0.000 0.448 174 R N 5.175 125.613 120.500 -0.103 0.000 2.389 174 R HA 0.200 4.540 4.340 0.000 0.000 0.295 174 R C 0.448 176.672 176.300 -0.127 0.000 1.075 174 R CA -0.537 55.509 56.100 -0.091 0.000 1.005 174 R CB 0.774 31.039 30.300 -0.058 0.000 0.987 174 R HN 0.577 nan 8.270 nan 0.000 0.452 175 R N 6.046 126.454 120.500 -0.154 0.000 2.502 175 R HA 0.039 4.379 4.340 0.000 0.000 0.292 175 R C -2.067 174.063 176.300 -0.282 0.000 0.998 175 R CA -0.879 55.084 56.100 -0.228 0.000 1.056 175 R CB 0.424 30.630 30.300 -0.156 0.000 0.939 175 R HN 0.433 nan 8.270 nan 0.000 0.411 176 P HA 0.102 nan 4.420 nan 0.000 0.282 176 P C -0.496 176.632 177.300 -0.286 0.000 1.249 176 P CA -0.340 62.525 63.100 -0.392 0.000 0.806 176 P CB 1.020 32.327 31.700 -0.656 0.000 0.984 177 M N 1.204 120.685 119.600 -0.199 0.000 2.247 177 M HA 0.605 5.085 4.480 0.000 0.000 0.326 177 M C 1.013 177.217 176.300 -0.161 0.000 1.134 177 M CA 0.259 55.414 55.300 -0.241 0.000 1.136 177 M CB 0.496 32.984 32.600 -0.187 0.000 1.454 177 M HN 0.724 nan 8.290 nan 0.000 0.467 178 G N 0.665 109.331 108.800 -0.223 0.000 2.325 178 G HA2 0.232 4.192 3.960 0.000 0.000 0.295 178 G HA3 0.232 4.192 3.960 0.000 0.000 0.295 178 G C -2.028 172.890 174.900 0.030 0.000 1.274 178 G CA -0.714 44.388 45.100 0.003 0.000 0.857 178 G HN 0.591 nan 8.290 nan 0.000 0.499 179 Q N -0.496 119.404 119.800 0.166 0.000 2.256 179 Q HA 0.757 5.097 4.340 0.000 0.000 0.257 179 Q C -0.873 175.231 176.000 0.173 0.000 0.936 179 Q CA -0.404 55.523 55.803 0.206 0.000 0.903 179 Q CB 1.302 30.252 28.738 0.353 0.000 1.263 179 Q HN 0.487 nan 8.270 nan 0.000 0.440 180 M N 1.611 121.198 119.600 -0.021 0.000 2.683 180 M HA 0.450 4.930 4.480 0.000 0.000 0.274 180 M C -1.104 174.907 176.300 -0.481 0.000 1.272 180 M CA -0.500 54.708 55.300 -0.153 0.000 0.833 180 M CB 2.311 34.848 32.600 -0.104 0.000 1.708 180 M HN 0.393 nan 8.290 nan 0.000 0.463 181 R N 1.563 121.735 120.500 -0.547 0.000 2.547 181 R HA 0.430 4.770 4.340 0.000 0.000 0.280 181 R C -2.113 173.986 176.300 -0.335 0.000 1.630 181 R CA -1.317 54.398 56.100 -0.643 0.000 1.470 181 R CB 0.893 30.469 30.300 -1.206 0.000 1.178 181 R HN 0.461 nan 8.270 nan 0.000 0.591 182 P HA -0.009 nan 4.420 nan 0.000 0.229 182 P C -0.327 176.892 177.300 -0.134 0.000 1.160 182 P CA 0.704 63.710 63.100 -0.157 0.000 0.777 182 P CB 0.343 31.966 31.700 -0.127 0.000 0.814 183 D N 0.005 120.312 120.400 -0.154 0.000 2.471 183 D HA 0.097 4.737 4.640 0.000 0.000 0.245 183 D C 0.601 176.820 176.300 -0.136 0.000 1.116 183 D CA -0.520 53.410 54.000 -0.117 0.000 0.853 183 D CB 0.423 41.166 40.800 -0.096 0.000 1.123 183 D HN -0.284 nan 8.370 nan 0.000 0.540 184 N N 1.242 119.879 118.700 -0.106 0.000 2.519 184 N HA -0.124 4.616 4.740 0.000 0.000 0.186 184 N C 1.233 176.702 175.510 -0.068 0.000 1.062 184 N CA 0.599 53.594 53.050 -0.092 0.000 0.910 184 N CB 0.277 38.734 38.487 -0.049 0.000 0.958 184 N HN 0.444 nan 8.380 nan 0.000 0.445 185 S N -1.171 114.491 115.700 -0.063 0.000 2.556 185 S HA 0.192 4.662 4.470 0.000 0.000 0.216 185 S C 0.544 175.113 174.600 -0.051 0.000 0.970 185 S CA -0.079 58.095 58.200 -0.044 0.000 0.912 185 S CB 0.608 63.789 63.200 -0.032 0.000 0.790 185 S HN -0.077 nan 8.310 nan 0.000 0.504 186 K N 1.369 121.721 120.400 -0.080 0.000 2.400 186 K HA 0.575 4.895 4.320 0.000 0.000 0.246 186 K C -3.242 173.288 176.600 -0.116 0.000 0.995 186 K CA -2.308 53.930 56.287 -0.081 0.000 0.840 186 K CB 1.134 33.585 32.500 -0.081 0.000 1.293 186 K HN -0.036 nan 8.250 nan 0.000 0.445 187 P HA 0.127 nan 4.420 nan 0.000 0.270 187 P C -2.318 174.873 177.300 -0.182 0.000 1.223 187 P CA -0.824 62.220 63.100 -0.093 0.000 0.785 187 P CB -0.220 31.460 31.700 -0.033 0.000 0.923 188 P HA 0.056 nan 4.420 nan 0.000 0.272 188 P C -0.764 176.450 177.300 -0.143 0.000 1.240 188 P CA 0.057 62.942 63.100 -0.357 0.000 0.791 188 P CB 0.436 31.895 31.700 -0.401 0.000 0.978 189 V N -1.680 118.154 119.914 -0.134 0.000 3.046 189 V HA 0.569 4.689 4.120 0.000 0.000 0.316 189 V C -1.117 175.006 176.094 0.050 0.000 1.104 189 V CA -1.133 61.148 62.300 -0.032 0.000 1.006 189 V CB 1.780 33.564 31.823 -0.064 0.000 1.058 189 V HN 0.527 nan 8.190 nan 0.000 0.440 190 Y N 1.243 121.523 120.300 -0.034 0.000 2.341 190 Y HA 0.887 5.437 4.550 -0.000 0.000 0.337 190 Y C 0.195 176.077 175.900 -0.030 0.000 1.014 190 Y CA 0.529 58.619 58.100 -0.018 0.000 1.111 190 Y CB 1.425 39.883 38.460 -0.003 0.000 1.194 190 Y HN 1.359 nan 8.280 nan 0.000 0.462 191 G N 2.363 110.715 108.800 -0.746 0.000 2.342 191 G HA2 0.492 4.452 3.960 0.000 0.000 0.297 191 G HA3 0.492 4.452 3.960 0.000 0.000 0.297 191 G C -1.808 172.791 174.900 -0.502 0.000 1.313 191 G CA -0.538 44.224 45.100 -0.563 0.000 0.830 191 G HN 0.911 nan 8.290 nan 0.000 0.506 192 A N -0.720 121.908 122.820 -0.321 0.000 2.440 192 A HA 0.497 4.817 4.320 0.000 0.000 0.251 192 A C 1.073 178.528 177.584 -0.216 0.000 1.089 192 A CA 0.493 52.381 52.037 -0.248 0.000 0.779 192 A CB -0.105 18.790 19.000 -0.175 0.000 1.022 192 A HN 2.202 nan 8.150 nan 0.000 0.492 193 C N 2.982 122.149 119.300 -0.223 0.000 2.563 193 C HA 0.167 4.627 4.460 0.000 0.000 0.411 193 C C 1.544 176.437 174.990 -0.161 0.000 1.386 193 C CA -0.022 58.877 59.018 -0.199 0.000 1.703 193 C CB -0.701 26.891 27.740 -0.247 0.000 2.596 193 C HN 0.937 nan 8.230 nan 0.000 0.605 194 R N 2.890 123.296 120.500 -0.157 0.000 2.282 194 R HA 0.223 4.563 4.340 0.000 0.000 0.195 194 R C -0.103 176.094 176.300 -0.172 0.000 0.909 194 R CA 0.420 56.443 56.100 -0.130 0.000 1.039 194 R CB 0.054 30.286 30.300 -0.112 0.000 1.015 194 R HN 0.684 nan 8.270 nan 0.000 0.513 195 L N 2.324 123.363 121.223 -0.306 0.000 2.599 195 L HA 0.341 4.681 4.340 0.000 0.000 0.241 195 L C -0.910 175.731 176.870 -0.381 0.000 1.207 195 L CA -0.682 53.735 54.840 -0.705 0.000 0.987 195 L CB 0.896 42.301 42.059 -1.089 0.000 1.318 195 L HN -0.048 nan 8.230 nan 0.000 0.458 196 L N 1.169 122.372 121.223 -0.033 0.000 2.305 196 L HA 0.536 4.876 4.340 0.000 0.000 0.281 196 L C -0.420 176.692 176.870 0.404 0.000 1.085 196 L CA 0.705 55.642 54.840 0.162 0.000 0.813 196 L CB 1.006 43.141 42.059 0.126 0.000 1.157 196 L HN 0.252 nan 8.230 nan 0.000 0.436 197 D N 3.185 123.856 120.400 0.451 0.000 2.552 197 D HA 0.589 5.229 4.640 0.000 0.000 0.239 197 D C -0.879 175.659 176.300 0.396 0.000 1.139 197 D CA -0.440 53.837 54.000 0.461 0.000 0.914 197 D CB 1.746 42.819 40.800 0.455 0.000 1.461 197 D HN 0.509 nan 8.370 nan 0.000 0.462 198 M N -0.387 119.334 119.600 0.203 0.000 2.705 198 M HA 0.684 5.164 4.480 0.000 0.000 0.311 198 M C -0.716 175.552 176.300 -0.054 0.000 1.214 198 M CA -0.423 54.831 55.300 -0.077 0.000 0.920 198 M CB 2.187 34.645 32.600 -0.236 0.000 1.687 198 M HN -0.002 nan 8.290 nan 0.000 0.481 199 E N 1.559 121.657 120.200 -0.169 0.000 2.265 199 E HA 0.366 4.716 4.350 0.000 0.000 0.262 199 E C -1.846 174.669 176.600 -0.142 0.000 0.889 199 E CA -0.864 55.477 56.400 -0.099 0.000 0.789 199 E CB 2.653 32.321 29.700 -0.053 0.000 1.221 199 E HN 0.714 nan 8.360 nan 0.000 0.414 200 L N 3.641 124.808 121.223 -0.094 0.000 2.456 200 L HA 0.186 4.526 4.340 0.000 0.000 0.277 200 L C -0.507 176.331 176.870 -0.053 0.000 1.124 200 L CA 0.968 55.761 54.840 -0.079 0.000 0.880 200 L CB -0.082 41.961 42.059 -0.026 0.000 1.192 200 L HN 0.493 nan 8.230 nan 0.000 0.463 201 E N 4.852 125.011 120.200 -0.068 0.000 2.433 201 E HA 0.560 4.910 4.350 0.000 0.000 0.273 201 E C -1.150 175.401 176.600 -0.081 0.000 0.950 201 E CA -0.982 55.406 56.400 -0.019 0.000 0.796 201 E CB 2.148 31.852 29.700 0.007 0.000 1.330 201 E HN 0.546 nan 8.360 nan 0.000 0.455 202 M N 0.481 120.035 119.600 -0.077 0.000 2.761 202 M HA 0.773 5.253 4.480 0.000 0.000 0.305 202 M C -0.955 175.293 176.300 -0.086 0.000 1.235 202 M CA -0.788 54.383 55.300 -0.215 0.000 0.850 202 M CB 2.282 34.534 32.600 -0.580 0.000 1.744 202 M HN 0.637 nan 8.290 nan 0.000 0.480 203 A N 1.190 123.951 122.820 -0.099 0.000 2.572 203 A HA 0.881 5.201 4.320 0.000 0.000 0.295 203 A C -1.659 175.925 177.584 0.001 0.000 1.072 203 A CA -0.654 51.347 52.037 -0.059 0.000 0.691 203 A CB 1.289 20.179 19.000 -0.184 0.000 1.291 203 A HN 0.791 nan 8.150 nan 0.000 0.404 204 F N -0.840 119.068 119.950 -0.070 0.000 2.538 204 F HA 0.895 5.422 4.527 0.000 0.000 0.325 204 F C -1.172 174.562 175.800 -0.110 0.000 1.066 204 F CA -1.503 56.492 58.000 -0.010 0.000 0.946 204 F CB 0.984 40.052 39.000 0.112 0.000 1.199 204 F HN 0.360 nan 8.300 nan 0.000 0.473 205 F N 1.819 121.942 119.950 0.289 0.000 2.394 205 F HA 0.546 5.073 4.527 0.000 0.000 0.340 205 F C 0.089 176.067 175.800 0.296 0.000 1.105 205 F CA -0.982 57.118 58.000 0.166 0.000 1.124 205 F CB 1.677 40.733 39.000 0.092 0.000 1.145 205 F HN 0.291 nan 8.300 nan 0.000 0.505 206 V N 3.397 123.536 119.914 0.375 0.000 2.583 206 V HA 0.335 4.455 4.120 0.000 0.000 0.287 206 V C 0.772 177.052 176.094 0.310 0.000 1.051 206 V CA 0.054 62.576 62.300 0.371 0.000 1.010 206 V CB 0.928 32.890 31.823 0.232 0.000 0.988 206 V HN 0.975 nan 8.190 nan 0.000 0.478 207 G N 5.690 114.744 108.800 0.424 0.000 3.311 207 G HA2 0.272 4.232 3.960 0.000 0.000 0.169 207 G HA3 0.272 4.232 3.960 0.000 0.000 0.169 207 G C -2.454 172.641 174.900 0.326 0.000 1.852 207 G CA -0.547 44.854 45.100 0.502 0.000 1.010 207 G HN 0.597 nan 8.290 nan 0.000 0.530 208 P HA 0.222 nan 4.420 nan 0.000 0.269 208 P C 0.574 178.039 177.300 0.275 0.000 1.209 208 P CA 0.121 63.315 63.100 0.156 0.000 0.776 208 P CB 0.712 32.417 31.700 0.009 0.000 0.876 209 G N 2.183 111.075 108.800 0.153 0.000 2.590 209 G HA2 0.131 4.091 3.960 0.000 0.000 0.276 209 G HA3 0.131 4.091 3.960 0.000 0.000 0.276 209 G C -0.282 174.677 174.900 0.097 0.000 1.337 209 G CA -0.455 44.716 45.100 0.119 0.000 1.030 209 G HN 0.684 nan 8.290 nan 0.000 0.534 210 N N -1.016 117.686 118.700 0.003 0.000 2.335 210 N HA 0.278 5.018 4.740 0.000 0.000 0.304 210 N C -0.541 174.987 175.510 0.030 0.000 1.135 210 N CA -0.795 52.251 53.050 -0.006 0.000 0.817 210 N CB 1.837 40.276 38.487 -0.079 0.000 1.294 210 N HN 0.437 nan 8.380 nan 0.000 0.497 211 R N 0.131 120.654 120.500 0.039 0.000 2.643 211 R HA 0.114 4.454 4.340 0.000 0.000 0.270 211 R C -0.019 176.341 176.300 0.099 0.000 1.061 211 R CA -0.504 55.641 56.100 0.074 0.000 1.107 211 R CB 0.357 30.695 30.300 0.063 0.000 0.999 211 R HN 0.538 nan 8.270 nan 0.000 0.460 212 F N 1.696 121.638 119.950 -0.013 0.000 2.580 212 F HA -0.006 4.521 4.527 -0.000 0.000 0.398 212 F C 1.322 177.114 175.800 -0.012 0.000 1.023 212 F CA 1.939 59.931 58.000 -0.014 0.000 1.188 212 F CB 0.161 39.153 39.000 -0.013 0.000 1.005 212 F HN 0.850 nan 8.300 nan 0.000 0.546 213 G N 3.947 112.441 108.800 -0.511 0.000 2.175 213 G HA2 -0.259 3.701 3.960 0.000 0.000 0.244 213 G HA3 -0.259 3.701 3.960 0.000 0.000 0.244 213 G C -0.078 174.709 174.900 -0.189 0.000 0.982 213 G CA 0.118 44.969 45.100 -0.414 0.000 0.641 213 G HN 0.648 nan 8.290 nan 0.000 0.527 214 E N 1.271 121.401 120.200 -0.117 0.000 2.207 214 E HA 0.388 4.738 4.350 0.000 0.000 0.250 214 E C -2.680 173.885 176.600 -0.058 0.000 0.890 214 E CA -2.012 54.350 56.400 -0.065 0.000 0.749 214 E CB 1.984 31.668 29.700 -0.027 0.000 1.193 214 E HN 0.174 nan 8.360 nan 0.000 0.423 215 P HA 0.004 nan 4.420 nan 0.000 0.268 215 P C -0.468 176.814 177.300 -0.030 0.000 1.208 215 P CA 0.177 63.253 63.100 -0.041 0.000 0.777 215 P CB 0.671 32.350 31.700 -0.034 0.000 0.875 216 I N 4.003 124.552 120.570 -0.035 0.000 2.304 216 I HA 0.244 4.414 4.170 0.000 0.000 0.291 216 I C -2.014 174.116 176.117 0.022 0.000 1.018 216 I CA -2.423 58.849 61.300 -0.047 0.000 1.260 216 I CB 1.181 39.084 38.000 -0.161 0.000 1.390 216 I HN 0.166 nan 8.210 nan 0.000 0.475 217 P HA 0.123 nan 4.420 nan 0.000 0.271 217 P C 0.916 178.265 177.300 0.082 0.000 1.218 217 P CA -0.208 62.937 63.100 0.074 0.000 0.780 217 P CB 1.129 32.868 31.700 0.067 0.000 0.901 218 I N 1.784 122.413 120.570 0.098 0.000 2.335 218 I HA -0.301 3.869 4.170 0.000 0.000 0.251 218 I C 2.179 178.337 176.117 0.068 0.000 1.129 218 I CA 1.785 63.129 61.300 0.073 0.000 1.402 218 I CB -0.193 37.857 38.000 0.084 0.000 1.069 218 I HN 0.331 nan 8.210 nan 0.000 0.424 219 S N 0.353 116.105 115.700 0.087 0.000 2.402 219 S HA -0.231 4.240 4.470 0.000 0.000 0.233 219 S C 1.858 176.567 174.600 0.181 0.000 1.030 219 S CA 1.614 59.879 58.200 0.108 0.000 1.003 219 S CB -0.247 63.007 63.200 0.090 0.000 0.813 219 S HN 0.527 nan 8.310 nan 0.000 0.477 220 K N 0.148 120.627 120.400 0.132 0.000 2.358 220 K HA 0.337 4.657 4.320 0.000 0.000 0.197 220 K C 2.040 178.695 176.600 0.093 0.000 1.025 220 K CA 0.469 56.812 56.287 0.093 0.000 1.104 220 K CB 0.079 32.637 32.500 0.096 0.000 0.855 220 K HN 0.345 nan 8.250 nan 0.000 0.531 221 A N 2.444 125.328 122.820 0.106 0.000 1.940 221 A HA -0.221 4.099 4.320 0.000 0.000 0.219 221 A C 2.016 179.620 177.584 0.034 0.000 1.176 221 A CA 1.647 53.728 52.037 0.073 0.000 0.631 221 A CB -0.870 18.110 19.000 -0.032 0.000 0.814 221 A HN 0.493 nan 8.150 nan 0.000 0.446 222 H N -0.480 118.519 119.070 -0.117 0.000 2.489 222 H HA -0.020 4.536 4.556 0.000 0.000 0.293 222 H C 1.184 176.543 175.328 0.052 0.000 1.066 222 H CA 1.381 57.351 56.048 -0.129 0.000 1.305 222 H CB -0.500 29.180 29.762 -0.136 0.000 1.386 222 H HN 0.646 nan 8.280 nan 0.000 0.551 223 E N 0.344 120.225 120.200 -0.531 0.000 2.418 223 E HA -0.076 4.274 4.350 0.000 0.000 0.197 223 E C 0.856 177.280 176.600 -0.294 0.000 1.026 223 E CA 0.281 56.392 56.400 -0.482 0.000 0.862 223 E CB 0.078 29.405 29.700 -0.621 0.000 0.799 223 E HN 0.731 nan 8.360 nan 0.000 0.518 224 H N -0.428 118.701 119.070 0.099 0.000 2.755 224 H HA 0.153 4.709 4.556 0.000 0.000 0.273 224 H C 0.020 175.565 175.328 0.361 0.000 1.055 224 H CA -0.069 56.129 56.048 0.250 0.000 1.191 224 H CB 0.986 30.842 29.762 0.157 0.000 1.536 224 H HN 0.008 nan 8.280 nan 0.000 0.529 225 I N 1.414 122.206 120.570 0.369 0.000 2.291 225 I HA -0.036 4.134 4.170 0.000 0.000 0.290 225 I C 0.995 177.219 176.117 0.178 0.000 1.050 225 I CA -0.233 61.222 61.300 0.258 0.000 1.245 225 I CB 0.003 38.026 38.000 0.040 0.000 1.405 225 I HN 0.040 nan 8.210 nan 0.000 0.478 226 F N 5.873 125.765 119.950 -0.097 0.000 2.118 226 F HA 0.374 4.901 4.527 0.000 0.000 0.293 226 F C 1.151 176.757 175.800 -0.323 0.000 1.102 226 F CA 1.260 58.847 58.000 -0.688 0.000 1.247 226 F CB 0.441 39.038 39.000 -0.671 0.000 1.017 226 F HN 0.509 nan 8.300 nan 0.000 0.475 227 G N -0.288 108.559 108.800 0.079 0.000 2.320 227 G HA2 0.379 4.339 3.960 0.000 0.000 0.296 227 G HA3 0.379 4.339 3.960 0.000 0.000 0.296 227 G C -1.742 173.353 174.900 0.325 0.000 1.306 227 G CA -0.876 44.255 45.100 0.052 0.000 0.836 227 G HN 0.069 nan 8.290 nan 0.000 0.517 228 M N 0.079 119.847 119.600 0.280 0.000 2.591 228 M HA 0.712 5.192 4.480 0.000 0.000 0.306 228 M C -0.082 176.470 176.300 0.419 0.000 1.190 228 M CA -1.108 54.375 55.300 0.305 0.000 0.889 228 M CB 2.489 35.210 32.600 0.200 0.000 1.728 228 M HN 0.876 nan 8.290 nan 0.000 0.458 229 V N -0.311 119.768 119.914 0.275 0.000 3.102 229 V HA 0.662 4.782 4.120 0.000 0.000 0.312 229 V C -0.879 175.222 176.094 0.012 0.000 1.135 229 V CA -1.148 61.312 62.300 0.267 0.000 1.022 229 V CB 1.813 33.791 31.823 0.259 0.000 1.056 229 V HN 0.815 nan 8.190 nan 0.000 0.436 230 L N 2.293 123.516 121.223 -0.001 0.000 2.395 230 L HA 0.626 4.966 4.340 0.000 0.000 0.269 230 L C -0.005 176.814 176.870 -0.086 0.000 1.133 230 L CA -0.040 54.722 54.840 -0.130 0.000 0.812 230 L CB 1.248 43.248 42.059 -0.098 0.000 1.125 230 L HN 0.748 nan 8.230 nan 0.000 0.452 231 M N 3.020 122.545 119.600 -0.124 0.000 2.446 231 M HA 0.372 4.852 4.480 0.000 0.000 0.294 231 M C -1.484 174.710 176.300 -0.176 0.000 1.158 231 M CA -0.597 54.624 55.300 -0.131 0.000 0.899 231 M CB 2.207 34.728 32.600 -0.131 0.000 1.687 231 M HN 0.488 nan 8.290 nan 0.000 0.455 232 N N 2.754 121.305 118.700 -0.249 0.000 2.518 232 N HA 0.195 4.935 4.740 0.000 0.000 0.254 232 N C -1.741 173.488 175.510 -0.469 0.000 0.979 232 N CA -0.216 52.556 53.050 -0.463 0.000 0.930 232 N CB 1.162 39.172 38.487 -0.794 0.000 1.152 232 N HN 0.614 nan 8.380 nan 0.000 0.505 233 D N 3.914 124.148 120.400 -0.277 0.000 2.517 233 D HA 0.100 4.740 4.640 0.000 0.000 0.220 233 D C -0.308 175.943 176.300 -0.082 0.000 1.158 233 D CA -0.328 53.606 54.000 -0.110 0.000 0.992 233 D CB -0.226 40.595 40.800 0.035 0.000 1.058 233 D HN 0.349 nan 8.370 nan 0.000 0.516 234 W N 2.324 123.576 121.300 -0.080 0.000 2.231 234 W HA 0.181 4.841 4.660 -0.000 0.000 0.341 234 W C 0.656 177.167 176.519 -0.014 0.000 1.298 234 W CA -0.236 57.090 57.345 -0.033 0.000 1.266 234 W CB 0.517 29.907 29.460 -0.118 0.000 1.172 234 W HN 0.103 nan 8.180 nan 0.000 0.568 235 S N 1.167 117.183 115.700 0.526 0.000 2.540 235 S HA 0.734 5.204 4.470 0.000 0.000 0.275 235 S C -0.912 173.997 174.600 0.514 0.000 1.123 235 S CA -0.979 57.498 58.200 0.462 0.000 0.907 235 S CB 1.828 65.191 63.200 0.272 0.000 1.081 235 S HN 0.550 nan 8.310 nan 0.000 0.476 236 A N 2.474 125.545 122.820 0.418 0.000 2.394 236 A HA 0.491 4.811 4.320 0.000 0.000 0.333 236 A C 0.980 178.602 177.584 0.063 0.000 1.397 236 A CA -0.610 51.498 52.037 0.118 0.000 0.884 236 A CB 0.233 19.193 19.000 -0.068 0.000 1.147 236 A HN 0.652 nan 8.150 nan 0.000 0.505 237 R N 1.537 122.025 120.500 -0.019 0.000 2.115 237 R HA -0.103 4.237 4.340 0.000 0.000 0.226 237 R C 0.931 177.215 176.300 -0.027 0.000 1.100 237 R CA 1.709 57.802 56.100 -0.012 0.000 0.980 237 R CB -0.259 29.999 30.300 -0.070 0.000 0.875 237 R HN 0.864 nan 8.270 nan 0.000 0.445 238 D N 0.330 120.675 120.400 -0.092 0.000 2.149 238 D HA -0.102 4.538 4.640 0.000 0.000 0.201 238 D C 2.004 178.328 176.300 0.040 0.000 0.972 238 D CA 0.709 54.675 54.000 -0.057 0.000 0.835 238 D CB -0.548 40.181 40.800 -0.119 0.000 0.966 238 D HN 0.199 nan 8.370 nan 0.000 0.476 239 I N 0.376 120.973 120.570 0.045 0.000 2.202 239 I HA -0.259 3.911 4.170 0.000 0.000 0.242 239 I C 2.845 179.071 176.117 0.182 0.000 1.091 239 I CA 1.108 62.483 61.300 0.125 0.000 1.368 239 I CB -0.356 37.689 38.000 0.075 0.000 1.058 239 I HN 0.030 nan 8.210 nan 0.000 0.410 240 Q N 0.823 120.709 119.800 0.143 0.000 2.077 240 Q HA -0.332 4.008 4.340 0.000 0.000 0.206 240 Q C 2.273 178.401 176.000 0.214 0.000 0.989 240 Q CA 2.199 58.090 55.803 0.147 0.000 0.853 240 Q CB -0.128 28.658 28.738 0.079 0.000 0.907 240 Q HN 0.471 nan 8.270 nan 0.000 0.418 241 Q N -0.484 119.425 119.800 0.182 0.000 2.124 241 Q HA -0.189 4.151 4.340 0.000 0.000 0.202 241 Q C 1.748 177.982 176.000 0.389 0.000 0.977 241 Q CA 1.583 57.532 55.803 0.243 0.000 0.850 241 Q CB -0.387 28.371 28.738 0.034 0.000 0.901 241 Q HN 0.667 nan 8.270 nan 0.000 0.429 242 W N 1.488 122.843 121.300 0.090 0.000 2.388 242 W HA -0.169 4.491 4.660 -0.000 0.000 0.294 242 W C 1.504 178.064 176.519 0.068 0.000 1.212 242 W CA 1.576 58.953 57.345 0.053 0.000 1.271 242 W CB 0.159 29.634 29.460 0.024 0.000 1.126 242 W HN 0.368 nan 8.180 nan 0.000 0.535 243 E N -0.079 120.154 120.200 0.055 0.000 2.318 243 E HA -0.226 4.124 4.350 0.000 0.000 0.193 243 E C 1.809 178.366 176.600 -0.071 0.000 0.998 243 E CA 0.774 57.111 56.400 -0.105 0.000 0.859 243 E CB -1.357 28.392 29.700 0.083 0.000 0.812 243 E HN 0.533 nan 8.360 nan 0.000 0.492 244 Y N 0.523 120.775 120.300 -0.080 0.000 2.544 244 Y HA 0.312 4.862 4.550 0.000 0.000 0.286 244 Y C 0.332 176.175 175.900 -0.095 0.000 1.141 244 Y CA -0.363 57.695 58.100 -0.069 0.000 1.299 244 Y CB 0.215 38.651 38.460 -0.040 0.000 1.030 244 Y HN -0.235 nan 8.280 nan 0.000 0.543 245 V N 4.513 124.004 119.914 -0.705 0.000 2.439 245 V HA 0.216 4.336 4.120 0.000 0.000 0.282 245 V C -1.353 174.532 176.094 -0.348 0.000 1.039 245 V CA -1.213 60.726 62.300 -0.602 0.000 0.913 245 V CB 1.370 32.825 31.823 -0.612 0.000 0.983 245 V HN 0.283 nan 8.190 nan 0.000 0.460 246 P HA 0.287 nan 4.420 nan 0.000 0.274 246 P C 0.527 177.742 177.300 -0.142 0.000 1.352 246 P CA 0.136 63.115 63.100 -0.201 0.000 0.947 246 P CB 0.563 32.178 31.700 -0.143 0.000 1.437 247 L N -1.054 120.084 121.223 -0.141 0.000 2.640 247 L HA 0.440 4.780 4.340 0.000 0.000 0.230 247 L C 0.993 177.823 176.870 -0.067 0.000 1.123 247 L CA 0.280 55.057 54.840 -0.106 0.000 0.900 247 L CB -0.330 41.644 42.059 -0.142 0.000 1.146 247 L HN 0.100 nan 8.230 nan 0.000 0.484 248 G N 0.838 109.623 108.800 -0.026 0.000 2.592 248 G HA2 -0.127 3.833 3.960 0.000 0.000 0.684 248 G HA3 -0.127 3.833 3.960 0.000 0.000 0.684 248 G C -2.998 171.919 174.900 0.029 0.000 1.291 248 G CA -1.146 43.958 45.100 0.008 0.000 0.891 248 G HN -0.083 nan 8.290 nan 0.000 0.544 249 P HA 0.535 nan 4.420 nan 0.000 0.271 249 P C -0.152 177.226 177.300 0.131 0.000 1.216 249 P CA 0.077 63.130 63.100 -0.080 0.000 0.776 249 P CB 0.977 32.437 31.700 -0.401 0.000 0.881 250 F N 1.765 121.731 119.950 0.026 0.000 1.952 250 F HA 0.225 4.752 4.527 -0.000 0.000 0.219 250 F C 1.486 177.361 175.800 0.125 0.000 1.272 250 F CA 0.120 58.167 58.000 0.077 0.000 1.255 250 F CB -0.640 38.393 39.000 0.054 0.000 1.971 250 F HN -0.005 nan 8.300 nan 0.000 0.130 251 L N 0.975 122.152 121.223 -0.076 0.000 2.362 251 L HA 0.032 4.372 4.340 0.000 0.000 0.219 251 L C 2.212 179.181 176.870 0.165 0.000 1.134 251 L CA 1.170 55.967 54.840 -0.073 0.000 0.807 251 L CB -1.169 40.890 42.059 -0.001 0.000 0.927 251 L HN 0.610 nan 8.230 nan 0.000 0.447 252 G N -0.430 108.486 108.800 0.193 0.000 2.559 252 G HA2 -0.142 3.818 3.960 0.000 0.000 0.216 252 G HA3 -0.142 3.818 3.960 0.000 0.000 0.216 252 G C 1.707 176.816 174.900 0.348 0.000 1.126 252 G CA 0.344 45.600 45.100 0.259 0.000 0.778 252 G HN 0.175 nan 8.290 nan 0.000 0.543 253 K N 0.191 120.723 120.400 0.221 0.000 2.436 253 K HA 0.074 4.394 4.320 0.000 0.000 0.198 253 K C 2.322 178.891 176.600 -0.052 0.000 1.174 253 K CA 0.834 57.189 56.287 0.112 0.000 0.951 253 K CB 0.428 33.041 32.500 0.189 0.000 1.040 253 K HN 0.341 nan 8.250 nan 0.000 0.536 254 S N 0.875 116.586 115.700 0.018 0.000 2.593 254 S HA -0.017 4.453 4.470 0.000 0.000 0.217 254 S C 1.672 176.253 174.600 -0.032 0.000 0.966 254 S CA -0.261 57.920 58.200 -0.032 0.000 0.914 254 S CB -0.733 62.408 63.200 -0.099 0.000 0.776 254 S HN 0.304 nan 8.310 nan 0.000 0.523 255 F N 1.025 120.982 119.950 0.011 0.000 2.661 255 F HA 0.584 5.111 4.527 0.000 0.000 0.298 255 F C 0.836 176.635 175.800 -0.002 0.000 1.137 255 F CA -0.113 57.881 58.000 -0.010 0.000 1.454 255 F CB -0.585 38.401 39.000 -0.022 0.000 1.103 255 F HN 0.324 nan 8.300 nan 0.000 0.577 256 G N -0.487 107.981 108.800 -0.553 0.000 2.433 256 G HA2 0.438 4.398 3.960 0.000 0.000 0.306 256 G HA3 0.438 4.398 3.960 0.000 0.000 0.306 256 G C -1.624 173.207 174.900 -0.115 0.000 1.627 256 G CA -0.702 44.225 45.100 -0.289 0.000 0.893 256 G HN 0.067 nan 8.290 nan 0.000 0.648 257 T N 1.285 115.867 114.554 0.047 0.000 3.071 257 T HA 0.665 5.015 4.350 0.000 0.000 0.311 257 T C -0.385 174.363 174.700 0.080 0.000 1.042 257 T CA -0.430 61.715 62.100 0.076 0.000 1.028 257 T CB 1.898 70.685 68.868 -0.135 0.000 1.068 257 T HN 0.577 nan 8.240 nan 0.000 0.451 258 T N 3.985 118.618 114.554 0.131 0.000 2.824 258 T HA 0.739 5.090 4.350 0.000 0.000 0.280 258 T C 0.131 174.830 174.700 -0.001 0.000 0.995 258 T CA -0.654 61.525 62.100 0.131 0.000 1.009 258 T CB 0.462 69.516 68.868 0.310 0.000 0.955 258 T HN 0.637 nan 8.240 nan 0.000 0.452 259 I N -0.340 120.234 120.570 0.007 0.000 2.740 259 I HA 0.752 4.922 4.170 0.000 0.000 0.303 259 I C 0.307 176.458 176.117 0.057 0.000 1.044 259 I CA -1.110 60.194 61.300 0.008 0.000 1.064 259 I CB 2.095 40.096 38.000 0.003 0.000 1.249 259 I HN 0.592 nan 8.210 nan 0.000 0.433 260 S N 3.323 119.073 115.700 0.083 0.000 2.585 260 S HA 0.371 4.841 4.470 0.000 0.000 0.273 260 S C -1.653 173.022 174.600 0.125 0.000 1.339 260 S CA -0.807 57.468 58.200 0.127 0.000 1.028 260 S CB 0.695 64.010 63.200 0.192 0.000 0.906 260 S HN 0.717 nan 8.310 nan 0.000 0.528 261 P HA 0.094 nan 4.420 nan 0.000 0.226 261 P C -0.423 176.798 177.300 -0.131 0.000 1.161 261 P CA 0.410 63.444 63.100 -0.110 0.000 0.804 261 P CB 0.037 31.548 31.700 -0.315 0.000 0.829 262 W N 1.189 122.577 121.300 0.147 0.000 2.387 262 W HA 0.276 4.936 4.660 0.000 0.000 0.310 262 W C -0.108 176.506 176.519 0.158 0.000 1.181 262 W CA -0.694 56.721 57.345 0.118 0.000 1.333 262 W CB 0.807 30.331 29.460 0.108 0.000 1.286 262 W HN -0.347 nan 8.180 nan 0.000 0.455 263 V N 5.872 126.039 119.914 0.422 0.000 2.389 263 V HA 0.085 4.205 4.120 0.000 0.000 0.264 263 V C 0.214 176.479 176.094 0.285 0.000 1.049 263 V CA -0.820 61.722 62.300 0.402 0.000 0.932 263 V CB 0.311 32.409 31.823 0.459 0.000 1.011 263 V HN 0.222 nan 8.190 nan 0.000 0.475 264 V N 9.232 129.219 119.914 0.120 0.000 2.455 264 V HA 0.241 4.361 4.120 0.000 0.000 0.273 264 V C -1.676 174.378 176.094 -0.066 0.000 1.045 264 V CA -1.431 60.809 62.300 -0.100 0.000 0.976 264 V CB 1.254 32.783 31.823 -0.491 0.000 0.993 264 V HN 0.730 nan 8.190 nan 0.000 0.475 265 P HA 0.161 nan 4.420 nan 0.000 0.274 265 P C 0.731 177.934 177.300 -0.161 0.000 1.231 265 P CA -0.416 62.538 63.100 -0.244 0.000 0.790 265 P CB 0.746 32.347 31.700 -0.165 0.000 0.951 266 M N 0.920 120.411 119.600 -0.182 0.000 2.202 266 M HA -0.122 4.358 4.480 0.000 0.000 0.262 266 M C 0.984 177.286 176.300 0.003 0.000 1.063 266 M CA 1.679 56.927 55.300 -0.087 0.000 1.097 266 M CB -1.703 30.903 32.600 0.010 0.000 1.382 266 M HN 0.336 nan 8.290 nan 0.000 0.413 267 D N 0.452 120.873 120.400 0.035 0.000 2.219 267 D HA -0.011 4.629 4.640 0.000 0.000 0.205 267 D C 1.945 178.287 176.300 0.071 0.000 0.970 267 D CA 1.271 55.320 54.000 0.081 0.000 0.851 267 D CB -0.047 40.817 40.800 0.107 0.000 0.943 267 D HN 0.349 nan 8.370 nan 0.000 0.488 268 A N -0.121 122.726 122.820 0.045 0.000 2.014 268 A HA -0.013 4.307 4.320 0.000 0.000 0.218 268 A C 2.116 179.814 177.584 0.191 0.000 1.163 268 A CA 0.653 52.738 52.037 0.079 0.000 0.652 268 A CB -0.313 18.694 19.000 0.011 0.000 0.808 268 A HN 0.228 nan 8.150 nan 0.000 0.449 269 L N -1.372 119.937 121.223 0.144 0.000 2.463 269 L HA 0.024 4.364 4.340 0.000 0.000 0.219 269 L C 2.290 179.395 176.870 0.391 0.000 1.088 269 L CA -0.069 54.931 54.840 0.268 0.000 0.849 269 L CB -0.287 41.714 42.059 -0.095 0.000 1.012 269 L HN 0.201 nan 8.230 nan 0.000 0.468 270 M N 0.358 120.110 119.600 0.253 0.000 2.144 270 M HA -0.137 4.343 4.480 0.000 0.000 0.260 270 M C -0.282 176.071 176.300 0.088 0.000 1.067 270 M CA 1.921 57.367 55.300 0.244 0.000 1.095 270 M CB -2.080 30.612 32.600 0.154 0.000 1.365 270 M HN 0.012 nan 8.290 nan 0.000 0.406 271 P HA -0.124 nan 4.420 nan 0.000 0.223 271 P C 0.749 177.719 177.300 -0.551 0.000 1.144 271 P CA 1.161 64.035 63.100 -0.375 0.000 0.783 271 P CB -0.223 31.122 31.700 -0.591 0.000 0.771 272 F N -2.507 117.531 119.950 0.147 0.000 2.639 272 F HA 0.156 4.684 4.527 0.000 0.000 0.302 272 F C 1.097 176.957 175.800 0.100 0.000 1.097 272 F CA -0.481 57.603 58.000 0.139 0.000 1.294 272 F CB -0.156 38.958 39.000 0.189 0.000 1.027 272 F HN -0.310 nan 8.300 nan 0.000 0.550 273 V N 2.460 122.417 119.914 0.071 0.000 2.740 273 V HA 0.334 4.454 4.120 0.000 0.000 0.303 273 V C 0.080 176.063 176.094 -0.184 0.000 1.054 273 V CA -0.247 61.879 62.300 -0.290 0.000 1.106 273 V CB 1.224 32.828 31.823 -0.364 0.000 0.957 273 V HN 0.070 nan 8.190 nan 0.000 0.486 274 V N 3.844 123.608 119.914 -0.249 0.000 3.102 274 V HA 0.735 4.855 4.120 0.000 0.000 0.312 274 V C -2.776 173.220 176.094 -0.164 0.000 1.135 274 V CA -2.682 59.530 62.300 -0.147 0.000 1.022 274 V CB 1.590 33.356 31.823 -0.095 0.000 1.056 274 V HN 0.715 nan 8.190 nan 0.000 0.436 275 P HA 0.126 nan 4.420 nan 0.000 0.266 275 P C -0.675 176.545 177.300 -0.134 0.000 1.193 275 P CA 0.210 63.242 63.100 -0.113 0.000 0.770 275 P CB 0.141 31.788 31.700 -0.090 0.000 0.836 276 N N 2.802 121.416 118.700 -0.142 0.000 2.513 276 N HA 0.159 4.899 4.740 0.000 0.000 0.268 276 N C -2.166 173.223 175.510 -0.201 0.000 1.180 276 N CA -1.000 51.945 53.050 -0.176 0.000 0.948 276 N CB -0.752 37.610 38.487 -0.209 0.000 1.083 276 N HN 0.276 nan 8.380 nan 0.000 0.455 277 P HA -0.039 nan 4.420 nan 0.000 0.265 277 P C 0.080 177.194 177.300 -0.310 0.000 1.187 277 P CA 0.123 63.086 63.100 -0.230 0.000 0.766 277 P CB 0.540 32.093 31.700 -0.246 0.000 0.820 278 K N 3.344 123.613 120.400 -0.218 0.000 2.416 278 K HA 0.029 4.349 4.320 0.000 0.000 0.283 278 K C -0.372 176.056 176.600 -0.287 0.000 1.037 278 K CA 0.047 56.206 56.287 -0.213 0.000 0.995 278 K CB 0.202 32.631 32.500 -0.118 0.000 0.938 278 K HN 0.400 nan 8.250 nan 0.000 0.475 279 Q N 3.101 122.686 119.800 -0.358 0.000 2.290 279 Q HA 0.169 4.509 4.340 0.000 0.000 0.259 279 Q C -1.334 174.587 176.000 -0.130 0.000 0.941 279 Q CA -0.659 54.918 55.803 -0.376 0.000 0.912 279 Q CB 1.663 30.034 28.738 -0.612 0.000 1.244 279 Q HN 0.522 nan 8.270 nan 0.000 0.441 280 D N 3.763 124.169 120.400 0.008 0.000 2.479 280 D HA 0.272 4.912 4.640 0.000 0.000 0.246 280 D C -2.380 173.934 176.300 0.024 0.000 1.336 280 D CA -1.604 52.401 54.000 0.008 0.000 0.967 280 D CB 1.400 42.204 40.800 0.006 0.000 1.275 280 D HN 0.239 nan 8.370 nan 0.000 0.577 281 P HA 0.146 nan 4.420 nan 0.000 0.272 281 P C -0.038 177.258 177.300 -0.008 0.000 1.223 281 P CA -0.567 62.538 63.100 0.009 0.000 0.784 281 P CB 0.850 32.578 31.700 0.047 0.000 0.923 282 K N 2.935 123.332 120.400 -0.006 0.000 2.489 282 K HA 0.070 4.390 4.320 0.000 0.000 0.278 282 K C -1.823 174.791 176.600 0.022 0.000 1.000 282 K CA -0.842 55.429 56.287 -0.028 0.000 1.012 282 K CB -0.140 32.350 32.500 -0.017 0.000 0.903 282 K HN 0.400 nan 8.250 nan 0.000 0.485 283 P HA 0.070 nan 4.420 nan 0.000 0.272 283 P C -0.027 177.317 177.300 0.073 0.000 1.240 283 P CA -0.310 62.842 63.100 0.086 0.000 0.791 283 P CB 0.492 32.241 31.700 0.081 0.000 0.978 284 L N 2.085 123.373 121.223 0.109 0.000 2.499 284 L HA -0.013 4.327 4.340 0.000 0.000 0.281 284 L C -0.944 175.973 176.870 0.079 0.000 1.234 284 L CA -1.043 53.878 54.840 0.135 0.000 0.839 284 L CB -0.501 41.726 42.059 0.280 0.000 1.104 284 L HN 0.328 nan 8.230 nan 0.000 0.500 285 P HA -0.245 nan 4.420 nan 0.000 0.217 285 P C 1.231 178.603 177.300 0.120 0.000 1.148 285 P CA 1.497 64.657 63.100 0.099 0.000 0.834 285 P CB -0.116 31.650 31.700 0.109 0.000 0.783 286 Y N -1.300 119.046 120.300 0.077 0.000 2.403 286 Y HA -0.018 4.532 4.550 -0.000 0.000 0.291 286 Y C 1.540 177.503 175.900 0.105 0.000 1.143 286 Y CA 0.866 59.015 58.100 0.081 0.000 1.257 286 Y CB -1.352 37.154 38.460 0.075 0.000 0.984 286 Y HN -0.122 nan 8.280 nan 0.000 0.550 287 L N -0.029 120.950 121.223 -0.407 0.000 2.640 287 L HA 0.193 4.533 4.340 0.000 0.000 0.230 287 L C 0.564 177.416 176.870 -0.030 0.000 1.123 287 L CA -0.473 54.194 54.840 -0.288 0.000 0.900 287 L CB 0.267 42.094 42.059 -0.387 0.000 1.146 287 L HN 0.321 nan 8.230 nan 0.000 0.484 288 C N 1.335 120.627 119.300 -0.013 0.000 2.435 288 C HA 0.454 4.914 4.460 0.000 0.000 0.375 288 C C 0.100 175.129 174.990 0.066 0.000 1.281 288 C CA -0.297 58.711 59.018 -0.017 0.000 1.963 288 C CB -0.891 26.838 27.740 -0.019 0.000 2.490 288 C HN 0.602 nan 8.230 nan 0.000 0.557 289 H N 1.511 120.555 119.070 -0.044 0.000 2.974 289 H HA 0.468 5.024 4.556 0.000 0.000 0.366 289 H C 0.191 175.490 175.328 -0.048 0.000 1.155 289 H CA -0.031 55.993 56.048 -0.039 0.000 1.186 289 H CB 0.866 30.603 29.762 -0.043 0.000 1.799 289 H HN 0.430 nan 8.280 nan 0.000 0.541 290 S N 1.585 117.316 115.700 0.052 0.000 2.425 290 S HA -0.098 4.372 4.470 0.000 0.000 0.225 290 S C 0.915 175.550 174.600 0.059 0.000 1.024 290 S CA 0.228 58.425 58.200 -0.005 0.000 0.951 290 S CB -0.285 62.911 63.200 -0.006 0.000 0.796 290 S HN 0.787 nan 8.310 nan 0.000 0.498 291 Q N 3.171 123.063 119.800 0.153 0.000 2.269 291 Q HA 0.138 4.478 4.340 0.000 0.000 0.300 291 Q C -2.625 173.498 176.000 0.205 0.000 1.070 291 Q CA -1.574 54.309 55.803 0.134 0.000 0.957 291 Q CB 0.215 28.989 28.738 0.060 0.000 1.131 291 Q HN 0.183 nan 8.270 nan 0.000 0.377 292 P HA -0.070 nan 4.420 nan 0.000 0.267 292 P C -1.437 175.906 177.300 0.070 0.000 1.205 292 P CA 0.609 63.722 63.100 0.021 0.000 0.765 292 P CB 0.193 31.849 31.700 -0.074 0.000 0.828 293 Y N 1.287 121.505 120.300 -0.136 0.000 2.919 293 Y HA 0.213 4.763 4.550 -0.000 0.000 0.245 293 Y C -0.571 175.159 175.900 -0.283 0.000 0.959 293 Y CA 0.043 58.035 58.100 -0.181 0.000 1.118 293 Y CB 0.525 38.995 38.460 0.017 0.000 1.224 293 Y HN 0.181 nan 8.280 nan 0.000 0.658 294 T N 1.261 115.465 114.554 -0.583 0.000 2.863 294 T HA 0.602 4.952 4.350 0.000 0.000 0.285 294 T C -1.215 173.065 174.700 -0.700 0.000 1.009 294 T CA -0.246 61.596 62.100 -0.430 0.000 0.989 294 T CB 1.166 69.883 68.868 -0.251 0.000 1.004 294 T HN 0.020 nan 8.240 nan 0.000 0.455 295 F N 1.196 121.148 119.950 0.004 0.000 2.556 295 F HA 0.360 4.887 4.527 -0.000 0.000 0.314 295 F C 0.186 176.067 175.800 0.134 0.000 1.106 295 F CA -1.227 56.852 58.000 0.131 0.000 0.911 295 F CB 1.445 40.598 39.000 0.255 0.000 1.190 295 F HN 0.374 nan 8.300 nan 0.000 0.448 296 D N 4.272 124.831 120.400 0.266 0.000 2.453 296 D HA 0.323 4.963 4.640 0.000 0.000 0.223 296 D C -0.680 175.705 176.300 0.141 0.000 1.183 296 D CA 0.244 54.338 54.000 0.158 0.000 0.933 296 D CB 0.013 40.898 40.800 0.142 0.000 1.038 296 D HN 0.393 nan 8.370 nan 0.000 0.513 297 I N 3.061 123.706 120.570 0.126 0.000 2.439 297 I HA 0.211 4.381 4.170 0.000 0.000 0.285 297 I C 0.051 176.170 176.117 0.004 0.000 1.021 297 I CA -0.957 60.369 61.300 0.043 0.000 1.091 297 I CB 1.465 39.468 38.000 0.006 0.000 1.242 297 I HN 0.038 nan 8.210 nan 0.000 0.439 298 N N 7.892 126.588 118.700 -0.007 0.000 2.430 298 N HA 0.422 5.162 4.740 0.000 0.000 0.265 298 N C -0.803 174.713 175.510 0.010 0.000 1.100 298 N CA -0.084 52.971 53.050 0.007 0.000 0.961 298 N CB 1.698 40.197 38.487 0.019 0.000 1.075 298 N HN 0.424 nan 8.380 nan 0.000 0.478 299 L N 0.785 122.011 121.223 0.004 0.000 2.346 299 L HA 0.489 4.829 4.340 0.000 0.000 0.274 299 L C 0.375 177.257 176.870 0.019 0.000 1.007 299 L CA -0.541 54.291 54.840 -0.015 0.000 0.818 299 L CB 1.906 43.946 42.059 -0.032 0.000 1.284 299 L HN 0.364 nan 8.230 nan 0.000 0.424 300 S N 1.179 116.890 115.700 0.018 0.000 2.549 300 S HA 0.819 5.289 4.470 0.000 0.000 0.280 300 S C -1.253 173.357 174.600 0.015 0.000 1.109 300 S CA -0.471 57.746 58.200 0.028 0.000 0.905 300 S CB 1.990 65.217 63.200 0.045 0.000 1.081 300 S HN 0.255 nan 8.310 nan 0.000 0.477 301 V N 3.488 123.412 119.914 0.016 0.000 2.577 301 V HA 0.684 4.804 4.120 0.000 0.000 0.303 301 V C -0.142 175.965 176.094 0.021 0.000 1.042 301 V CA -0.747 61.559 62.300 0.010 0.000 0.872 301 V CB 1.577 33.400 31.823 -0.000 0.000 0.998 301 V HN 0.932 nan 8.190 nan 0.000 0.423 302 S N 5.149 120.867 115.700 0.029 0.000 2.578 302 S HA 0.898 5.368 4.470 0.000 0.000 0.301 302 S C -0.954 173.676 174.600 0.050 0.000 1.091 302 S CA -0.733 57.490 58.200 0.037 0.000 1.032 302 S CB 2.136 65.361 63.200 0.041 0.000 1.064 302 S HN 0.777 nan 8.310 nan 0.000 0.508 303 L N 1.382 122.636 121.223 0.052 0.000 2.410 303 L HA 0.707 5.048 4.340 0.000 0.000 0.270 303 L C -1.071 175.835 176.870 0.061 0.000 0.983 303 L CA -0.487 54.394 54.840 0.067 0.000 0.822 303 L CB 1.784 43.882 42.059 0.066 0.000 1.285 303 L HN 0.961 nan 8.230 nan 0.000 0.409 304 K N 3.522 123.964 120.400 0.070 0.000 2.507 304 K HA 0.658 4.978 4.320 0.000 0.000 0.252 304 K C -0.554 176.083 176.600 0.061 0.000 0.943 304 K CA -0.527 55.795 56.287 0.058 0.000 0.808 304 K CB 1.864 34.397 32.500 0.054 0.000 1.142 304 K HN 0.746 nan 8.250 nan 0.000 0.426 305 G N 2.209 111.040 108.800 0.052 0.000 2.511 305 G HA2 0.218 4.178 3.960 0.000 0.000 0.316 305 G HA3 0.218 4.178 3.960 0.000 0.000 0.316 305 G C -0.828 174.097 174.900 0.041 0.000 1.210 305 G CA -0.570 44.560 45.100 0.050 0.000 0.969 305 G HN 0.674 nan 8.290 nan 0.000 0.492 306 E N -0.619 119.604 120.200 0.037 0.000 2.414 306 E HA 0.318 4.668 4.350 0.000 0.000 0.263 306 E C 1.254 177.870 176.600 0.027 0.000 1.000 306 E CA 1.249 57.667 56.400 0.030 0.000 0.914 306 E CB 0.677 30.392 29.700 0.026 0.000 0.948 306 E HN 0.903 nan 8.360 nan 0.000 0.444 307 G N 3.173 111.987 108.800 0.024 0.000 2.336 307 G HA2 -0.337 3.623 3.960 0.000 0.000 0.233 307 G HA3 -0.337 3.623 3.960 0.000 0.000 0.233 307 G C 0.398 175.311 174.900 0.022 0.000 1.053 307 G CA 0.111 45.224 45.100 0.021 0.000 0.625 307 G HN 0.481 nan 8.290 nan 0.000 0.511 308 M N 1.998 121.613 119.600 0.025 0.000 2.239 308 M HA 0.367 4.847 4.480 0.000 0.000 0.348 308 M C 1.810 178.125 176.300 0.025 0.000 1.239 308 M CA 0.757 56.072 55.300 0.025 0.000 1.114 308 M CB 1.194 33.812 32.600 0.029 0.000 1.641 308 M HN 0.468 nan 8.290 nan 0.000 0.453 309 S N 1.453 117.166 115.700 0.022 0.000 2.503 309 S HA 0.139 4.609 4.470 0.000 0.000 0.215 309 S C 0.482 175.095 174.600 0.022 0.000 1.003 309 S CA -0.083 58.130 58.200 0.021 0.000 0.910 309 S CB 0.335 63.545 63.200 0.018 0.000 0.790 309 S HN 0.788 nan 8.310 nan 0.000 0.514 310 Q N 0.451 120.265 119.800 0.023 0.000 2.372 310 Q HA 0.709 5.049 4.340 0.000 0.000 0.273 310 Q C -1.250 174.766 176.000 0.027 0.000 1.078 310 Q CA -0.736 55.081 55.803 0.023 0.000 0.806 310 Q CB 2.384 31.133 28.738 0.018 0.000 1.332 310 Q HN 0.441 nan 8.270 nan 0.000 0.435 311 A N 1.315 124.153 122.820 0.030 0.000 2.425 311 A HA 0.639 4.959 4.320 0.000 0.000 0.249 311 A C -0.442 177.159 177.584 0.028 0.000 1.084 311 A CA -0.015 52.042 52.037 0.035 0.000 0.781 311 A CB 0.414 19.438 19.000 0.041 0.000 1.019 311 A HN 0.675 nan 8.150 nan 0.000 0.490 312 A N 2.075 124.913 122.820 0.029 0.000 2.305 312 A HA 0.629 4.949 4.320 0.000 0.000 0.322 312 A C 0.355 177.953 177.584 0.023 0.000 1.187 312 A CA -0.374 51.676 52.037 0.022 0.000 0.825 312 A CB 0.287 19.299 19.000 0.020 0.000 1.164 312 A HN 0.787 nan 8.150 nan 0.000 0.498 313 T N 2.864 117.428 114.554 0.017 0.000 2.737 313 T HA 0.325 4.675 4.350 0.000 0.000 0.296 313 T C 1.322 176.029 174.700 0.012 0.000 0.922 313 T CA 0.328 62.438 62.100 0.016 0.000 1.079 313 T CB -0.118 68.757 68.868 0.011 0.000 0.892 313 T HN 0.598 nan 8.240 nan 0.000 0.514 314 I N -0.145 120.435 120.570 0.016 0.000 4.070 314 I HA 0.483 4.653 4.170 0.000 0.000 0.328 314 I C 0.545 176.671 176.117 0.016 0.000 1.298 314 I CA -0.348 60.960 61.300 0.015 0.000 1.173 314 I CB 0.522 38.534 38.000 0.021 0.000 1.051 314 I HN 0.490 nan 8.210 nan 0.000 0.409 315 C N 1.859 121.171 119.300 0.021 0.000 2.891 315 C HA 0.595 5.055 4.460 0.000 0.000 0.342 315 C C -1.109 173.899 174.990 0.031 0.000 1.126 315 C CA -0.403 58.634 59.018 0.032 0.000 1.322 315 C CB 1.786 29.558 27.740 0.053 0.000 1.763 315 C HN 0.471 nan 8.230 nan 0.000 0.491 316 R N 3.923 124.444 120.500 0.034 0.000 2.502 316 R HA 0.718 5.058 4.340 0.000 0.000 0.300 316 R C -0.717 175.630 176.300 0.077 0.000 0.984 316 R CA -0.160 55.965 56.100 0.042 0.000 0.882 316 R CB 2.098 32.413 30.300 0.026 0.000 1.180 316 R HN 0.769 nan 8.270 nan 0.000 0.444 317 S N 1.446 117.202 115.700 0.093 0.000 2.840 317 S HA 0.529 4.999 4.470 0.000 0.000 0.307 317 S C -1.662 172.990 174.600 0.087 0.000 1.180 317 S CA -0.760 57.537 58.200 0.162 0.000 0.846 317 S CB 1.840 65.159 63.200 0.199 0.000 1.233 317 S HN 0.609 nan 8.310 nan 0.000 0.548 318 N N 0.454 119.169 118.700 0.025 0.000 2.371 318 N HA 0.297 5.037 4.740 0.000 0.000 0.280 318 N C -0.516 174.938 175.510 -0.093 0.000 1.084 318 N CA -0.432 52.539 53.050 -0.131 0.000 0.892 318 N CB 1.301 39.600 38.487 -0.313 0.000 1.653 318 N HN 0.539 nan 8.380 nan 0.000 0.480 319 F N 3.848 123.729 119.950 -0.115 0.000 2.408 319 F HA -0.037 4.490 4.527 -0.000 0.000 0.300 319 F C 2.147 177.935 175.800 -0.020 0.000 1.090 319 F CA 1.339 59.321 58.000 -0.030 0.000 1.427 319 F CB 0.208 39.209 39.000 0.002 0.000 1.070 319 F HN 0.629 nan 8.300 nan 0.000 0.549 320 K N -1.076 119.226 120.400 -0.163 0.000 2.504 320 K HA -0.145 4.175 4.320 0.000 0.000 0.195 320 K C 1.244 177.749 176.600 -0.158 0.000 1.036 320 K CA 1.456 57.622 56.287 -0.202 0.000 0.984 320 K CB -0.925 31.492 32.500 -0.138 0.000 0.788 320 K HN 0.412 nan 8.250 nan 0.000 0.488 321 H N 0.181 119.236 119.070 -0.025 0.000 2.491 321 H HA 0.090 4.646 4.556 0.000 0.000 0.290 321 H C 0.508 175.845 175.328 0.016 0.000 1.050 321 H CA -0.078 55.980 56.048 0.017 0.000 1.309 321 H CB 0.139 29.943 29.762 0.070 0.000 1.392 321 H HN 0.107 nan 8.280 nan 0.000 0.554 322 M N 0.461 120.079 119.600 0.030 0.000 2.245 322 M HA -0.120 4.360 4.480 0.000 0.000 0.344 322 M C 0.788 177.133 176.300 0.075 0.000 1.170 322 M CA 0.509 55.847 55.300 0.064 0.000 1.135 322 M CB 0.329 32.855 32.600 -0.124 0.000 1.574 322 M HN 0.282 nan 8.290 nan 0.000 0.452 323 Y N 1.882 122.201 120.300 0.033 0.000 2.314 323 Y HA 0.015 4.565 4.550 0.000 0.000 0.294 323 Y C -0.167 175.500 175.900 -0.388 0.000 1.119 323 Y CA 0.923 58.931 58.100 -0.153 0.000 1.179 323 Y CB 0.503 38.937 38.460 -0.042 0.000 1.025 323 Y HN 0.578 nan 8.280 nan 0.000 0.541 324 W N 1.185 122.489 121.300 0.007 0.000 2.520 324 W HA 0.396 5.056 4.660 -0.000 0.000 0.323 324 W C 0.217 176.700 176.519 -0.059 0.000 1.062 324 W CA -0.789 56.494 57.345 -0.103 0.000 1.215 324 W CB 0.938 30.312 29.460 -0.143 0.000 1.340 324 W HN -0.140 nan 8.180 nan 0.000 0.516 325 T N -0.397 114.285 114.554 0.214 0.000 2.847 325 T HA 0.238 4.588 4.350 0.000 0.000 0.279 325 T C 1.024 175.838 174.700 0.190 0.000 0.984 325 T CA -0.548 61.680 62.100 0.213 0.000 0.988 325 T CB 0.912 69.969 68.868 0.315 0.000 1.040 325 T HN 0.536 nan 8.240 nan 0.000 0.528 326 M N 0.360 120.102 119.600 0.237 0.000 2.213 326 M HA -0.012 4.468 4.480 0.000 0.000 0.263 326 M C 2.100 178.347 176.300 -0.088 0.000 1.062 326 M CA 1.512 56.862 55.300 0.083 0.000 1.105 326 M CB -0.709 31.839 32.600 -0.086 0.000 1.385 326 M HN 0.586 nan 8.290 nan 0.000 0.417 327 L N -0.487 120.636 121.223 -0.167 0.000 2.046 327 L HA -0.233 4.107 4.340 0.000 0.000 0.208 327 L C 2.461 179.280 176.870 -0.086 0.000 1.077 327 L CA 1.421 56.085 54.840 -0.294 0.000 0.747 327 L CB -0.841 40.810 42.059 -0.679 0.000 0.896 327 L HN 0.383 nan 8.230 nan 0.000 0.432 328 Q N -0.254 119.563 119.800 0.028 0.000 2.084 328 Q HA -0.234 4.106 4.340 0.000 0.000 0.202 328 Q C 2.279 178.272 176.000 -0.012 0.000 0.978 328 Q CA 1.419 57.269 55.803 0.079 0.000 0.844 328 Q CB -0.113 28.771 28.738 0.244 0.000 0.898 328 Q HN 0.569 nan 8.270 nan 0.000 0.426 329 Q N 0.431 120.169 119.800 -0.103 0.000 2.046 329 Q HA -0.148 4.192 4.340 0.000 0.000 0.200 329 Q C 2.182 178.211 176.000 0.049 0.000 0.975 329 Q CA 1.082 56.669 55.803 -0.359 0.000 0.836 329 Q CB -0.149 28.125 28.738 -0.774 0.000 0.896 329 Q HN 0.309 nan 8.270 nan 0.000 0.428 330 L N 0.251 121.588 121.223 0.189 0.000 2.046 330 L HA -0.189 4.151 4.340 0.000 0.000 0.208 330 L C 2.167 179.162 176.870 0.208 0.000 1.077 330 L CA 1.572 56.582 54.840 0.282 0.000 0.747 330 L CB -0.380 41.833 42.059 0.255 0.000 0.896 330 L HN 0.163 nan 8.230 nan 0.000 0.432 331 T N -1.938 112.707 114.554 0.152 0.000 2.737 331 T HA -0.249 4.101 4.350 0.000 0.000 0.265 331 T C 1.756 176.615 174.700 0.265 0.000 1.038 331 T CA 1.623 63.824 62.100 0.167 0.000 1.144 331 T CB -0.440 68.514 68.868 0.143 0.000 0.866 331 T HN 0.537 nan 8.240 nan 0.000 0.434 332 H N 0.646 119.821 119.070 0.176 0.000 2.352 332 H HA -0.125 4.431 4.556 -0.000 0.000 0.299 332 H C 2.234 177.701 175.328 0.232 0.000 1.097 332 H CA 1.849 58.033 56.048 0.226 0.000 1.311 332 H CB -0.399 29.408 29.762 0.076 0.000 1.377 332 H HN 0.304 nan 8.280 nan 0.000 0.504 333 H N -0.411 118.766 119.070 0.178 0.000 2.489 333 H HA -0.047 4.509 4.556 0.000 0.000 0.293 333 H C 1.696 177.039 175.328 0.025 0.000 1.066 333 H CA 1.572 57.691 56.048 0.119 0.000 1.305 333 H CB -0.054 29.863 29.762 0.259 0.000 1.386 333 H HN 0.539 nan 8.280 nan 0.000 0.551 334 S N -1.202 114.604 115.700 0.177 0.000 2.539 334 S HA 0.069 4.539 4.470 0.000 0.000 0.221 334 S C 1.959 176.563 174.600 0.007 0.000 0.987 334 S CA 0.355 58.594 58.200 0.065 0.000 0.929 334 S CB -0.009 63.197 63.200 0.010 0.000 0.832 334 S HN 0.107 nan 8.310 nan 0.000 0.492 335 V N 3.949 123.861 119.914 -0.002 0.000 2.469 335 V HA -0.189 3.931 4.120 0.000 0.000 0.251 335 V C 1.942 177.964 176.094 -0.119 0.000 1.064 335 V CA 2.336 64.598 62.300 -0.063 0.000 1.066 335 V CB -0.790 30.968 31.823 -0.110 0.000 0.667 335 V HN 0.843 nan 8.190 nan 0.000 0.461 336 N N -0.163 118.468 118.700 -0.115 0.000 2.336 336 N HA 0.199 4.939 4.740 0.000 0.000 0.189 336 N C 1.251 176.683 175.510 -0.131 0.000 1.113 336 N CA 1.028 54.005 53.050 -0.121 0.000 0.858 336 N CB 0.462 38.885 38.487 -0.106 0.000 0.970 336 N HN 0.602 nan 8.380 nan 0.000 0.471 337 G N -0.412 108.314 108.800 -0.124 0.000 2.176 337 G HA2 -0.284 3.676 3.960 0.000 0.000 0.232 337 G HA3 -0.284 3.676 3.960 0.000 0.000 0.232 337 G C 0.143 174.941 174.900 -0.170 0.000 0.986 337 G CA -0.068 44.922 45.100 -0.183 0.000 0.643 337 G HN 0.650 nan 8.290 nan 0.000 0.522 338 C N 2.784 122.046 119.300 -0.062 0.000 2.538 338 C HA 0.439 4.900 4.460 0.000 0.000 0.408 338 C C 0.958 175.962 174.990 0.023 0.000 1.421 338 C CA -0.007 59.027 59.018 0.027 0.000 1.642 338 C CB -0.695 27.116 27.740 0.118 0.000 2.553 338 C HN 0.647 nan 8.230 nan 0.000 0.604 339 N N 7.287 126.032 118.700 0.076 0.000 2.500 339 N HA 0.245 4.985 4.740 0.000 0.000 0.236 339 N C -0.744 174.769 175.510 0.005 0.000 1.022 339 N CA -0.230 52.856 53.050 0.060 0.000 0.935 339 N CB 0.320 38.898 38.487 0.153 0.000 1.147 339 N HN 0.714 nan 8.380 nan 0.000 0.512 340 L N 1.732 122.926 121.223 -0.048 0.000 2.456 340 L HA 0.248 4.588 4.340 0.000 0.000 0.272 340 L C 1.011 177.879 176.870 -0.004 0.000 1.189 340 L CA -0.036 54.761 54.840 -0.071 0.000 0.846 340 L CB 0.368 42.374 42.059 -0.090 0.000 1.111 340 L HN 0.361 nan 8.230 nan 0.000 0.475 341 R N 2.498 123.004 120.500 0.010 0.000 2.807 341 R HA 0.438 4.778 4.340 0.000 0.000 0.276 341 R C -2.550 173.784 176.300 0.056 0.000 0.979 341 R CA -2.094 54.026 56.100 0.033 0.000 0.928 341 R CB 1.609 31.918 30.300 0.016 0.000 1.191 341 R HN 0.294 nan 8.270 nan 0.000 0.471 342 P HA -0.038 nan 4.420 nan 0.000 0.262 342 P C 0.520 177.836 177.300 0.027 0.000 1.182 342 P CA 1.095 64.222 63.100 0.044 0.000 0.761 342 P CB 0.495 32.195 31.700 -0.000 0.000 0.795 343 G N 1.893 110.728 108.800 0.060 0.000 2.176 343 G HA2 -0.207 3.753 3.960 0.000 0.000 0.253 343 G HA3 -0.207 3.753 3.960 0.000 0.000 0.253 343 G C 0.022 175.083 174.900 0.268 0.000 0.979 343 G CA -0.272 44.910 45.100 0.137 0.000 0.641 343 G HN 0.486 nan 8.290 nan 0.000 0.530 344 D N -0.104 120.385 120.400 0.148 0.000 2.423 344 D HA 0.417 5.057 4.640 0.000 0.000 0.238 344 D C 0.342 176.633 176.300 -0.015 0.000 1.142 344 D CA 0.144 54.183 54.000 0.066 0.000 0.884 344 D CB 1.349 42.147 40.800 -0.003 0.000 1.199 344 D HN 0.283 nan 8.370 nan 0.000 0.438 345 L N 2.911 124.064 121.223 -0.116 0.000 2.305 345 L HA 0.353 4.693 4.340 0.000 0.000 0.284 345 L C -1.532 175.206 176.870 -0.221 0.000 1.013 345 L CA -0.570 54.055 54.840 -0.359 0.000 0.819 345 L CB 1.095 42.919 42.059 -0.392 0.000 1.227 345 L HN 0.162 nan 8.230 nan 0.000 0.417 346 L N 5.599 126.526 121.223 -0.493 0.000 2.316 346 L HA 0.776 5.117 4.340 0.000 0.000 0.280 346 L C 0.098 176.868 176.870 -0.167 0.000 1.006 346 L CA -0.076 54.572 54.840 -0.319 0.000 0.836 346 L CB 1.412 43.133 42.059 -0.564 0.000 1.221 346 L HN 0.725 nan 8.230 nan 0.000 0.418 347 A N 1.609 124.503 122.820 0.123 0.000 2.295 347 A HA 0.590 4.910 4.320 0.000 0.000 0.318 347 A C 1.070 178.860 177.584 0.343 0.000 1.134 347 A CA 0.169 52.316 52.037 0.183 0.000 0.827 347 A CB 0.849 19.975 19.000 0.210 0.000 1.136 347 A HN 0.802 nan 8.150 nan 0.000 0.493 348 S N 0.943 116.840 115.700 0.328 0.000 2.428 348 S HA 0.387 4.857 4.470 0.000 0.000 0.230 348 S C 1.097 175.944 174.600 0.412 0.000 1.014 348 S CA 0.744 59.201 58.200 0.428 0.000 0.957 348 S CB -0.809 62.703 63.200 0.520 0.000 0.784 348 S HN 2.700 nan 8.310 nan 0.000 0.499 349 G N -0.013 108.982 108.800 0.326 0.000 2.619 349 G HA2 -0.010 3.950 3.960 0.000 0.000 0.686 349 G HA3 -0.010 3.950 3.960 0.000 0.000 0.686 349 G C -0.533 174.448 174.900 0.136 0.000 1.256 349 G CA -0.636 44.638 45.100 0.289 0.000 0.826 349 G HN 0.410 nan 8.290 nan 0.000 0.619 350 T N 0.786 115.290 114.554 -0.083 0.000 2.902 350 T HA 0.362 4.712 4.350 0.000 0.000 0.301 350 T C 1.116 175.765 174.700 -0.085 0.000 1.012 350 T CA 0.520 62.462 62.100 -0.263 0.000 1.151 350 T CB 0.289 68.639 68.868 -0.864 0.000 0.946 350 T HN 0.540 nan 8.240 nan 0.000 0.542 351 I N 3.614 124.213 120.570 0.048 0.000 2.276 351 I HA 0.174 4.344 4.170 0.000 0.000 0.290 351 I C 0.357 176.593 176.117 0.198 0.000 1.109 351 I CA -0.143 61.260 61.300 0.171 0.000 1.229 351 I CB 0.232 38.359 38.000 0.211 0.000 1.452 351 I HN 0.494 nan 8.210 nan 0.000 0.497 352 S N 3.514 119.341 115.700 0.212 0.000 2.454 352 S HA 0.653 5.123 4.470 0.000 0.000 0.306 352 S C 0.438 175.151 174.600 0.188 0.000 1.100 352 S CA -0.692 57.657 58.200 0.249 0.000 1.087 352 S CB 1.892 65.204 63.200 0.187 0.000 1.019 352 S HN 0.696 nan 8.310 nan 0.000 0.480 353 G N 1.019 109.895 108.800 0.126 0.000 2.537 353 G HA2 0.383 4.343 3.960 0.000 0.000 0.297 353 G HA3 0.383 4.343 3.960 0.000 0.000 0.297 353 G C 1.037 175.936 174.900 -0.001 0.000 1.310 353 G CA -0.171 44.739 45.100 -0.317 0.000 1.027 353 G HN 0.716 nan 8.290 nan 0.000 0.505 354 S N -1.172 114.464 115.700 -0.107 0.000 2.428 354 S HA -0.063 4.407 4.470 0.000 0.000 0.230 354 S C 0.846 175.490 174.600 0.073 0.000 1.014 354 S CA 0.857 59.090 58.200 0.055 0.000 0.957 354 S CB -0.116 63.070 63.200 -0.023 0.000 0.784 354 S HN 0.526 nan 8.310 nan 0.000 0.499 355 D N 3.392 123.756 120.400 -0.060 0.000 2.401 355 D HA 0.203 4.843 4.640 0.000 0.000 0.254 355 D C -1.824 174.194 176.300 -0.471 0.000 1.192 355 D CA -2.138 51.759 54.000 -0.171 0.000 0.885 355 D CB 1.348 42.077 40.800 -0.119 0.000 1.147 355 D HN 0.021 nan 8.370 nan 0.000 0.478 356 P HA -0.122 nan 4.420 nan 0.000 0.220 356 P C 0.663 177.439 177.300 -0.874 0.000 1.144 356 P CA 0.957 63.137 63.100 -1.533 0.000 0.800 356 P CB 0.220 31.423 31.700 -0.828 0.000 0.772 357 E N -0.736 119.206 120.200 -0.429 0.000 2.418 357 E HA -0.065 4.285 4.350 0.000 0.000 0.197 357 E C 1.351 177.878 176.600 -0.121 0.000 1.026 357 E CA 1.131 57.403 56.400 -0.214 0.000 0.862 357 E CB -0.191 29.433 29.700 -0.128 0.000 0.799 357 E HN 0.347 nan 8.360 nan 0.000 0.518 358 S N -0.370 115.251 115.700 -0.132 0.000 2.593 358 S HA 0.149 4.619 4.470 0.000 0.000 0.236 358 S C 0.298 175.044 174.600 0.244 0.000 0.991 358 S CA -0.673 57.566 58.200 0.065 0.000 0.963 358 S CB -0.281 62.982 63.200 0.104 0.000 0.865 358 S HN 0.046 nan 8.310 nan 0.000 0.488 359 F N 1.606 121.595 119.950 0.065 0.000 2.484 359 F HA 0.385 4.912 4.527 0.000 0.000 0.360 359 F C 1.715 177.565 175.800 0.083 0.000 1.101 359 F CA -0.443 57.612 58.000 0.091 0.000 1.251 359 F CB 0.817 39.886 39.000 0.115 0.000 1.132 359 F HN 0.332 nan 8.300 nan 0.000 0.570 360 G N 1.374 110.339 108.800 0.274 0.000 3.233 360 G HA2 0.161 4.121 3.960 0.000 0.000 0.227 360 G HA3 0.161 4.121 3.960 0.000 0.000 0.227 360 G C -0.100 174.856 174.900 0.093 0.000 1.175 360 G CA 0.070 45.253 45.100 0.139 0.000 0.781 360 G HN 0.563 nan 8.290 nan 0.000 0.542 361 S N -1.664 114.121 115.700 0.141 0.000 2.588 361 S HA 0.507 4.977 4.470 0.000 0.000 0.275 361 S C 0.786 175.447 174.600 0.101 0.000 1.130 361 S CA -0.779 57.488 58.200 0.112 0.000 0.855 361 S CB 1.668 64.957 63.200 0.149 0.000 1.116 361 S HN -0.067 nan 8.310 nan 0.000 0.472 362 M N 0.942 120.578 119.600 0.060 0.000 2.419 362 M HA 0.066 4.546 4.480 0.000 0.000 0.264 362 M C 1.795 177.979 176.300 -0.194 0.000 1.082 362 M CA 0.638 55.894 55.300 -0.073 0.000 1.119 362 M CB -0.544 31.972 32.600 -0.140 0.000 1.398 362 M HN 0.752 nan 8.290 nan 0.000 0.453 363 L N 1.027 122.262 121.223 0.020 0.000 2.042 363 L HA -0.203 4.137 4.340 0.000 0.000 0.210 363 L C 1.956 178.809 176.870 -0.028 0.000 1.076 363 L CA 2.075 56.970 54.840 0.092 0.000 0.749 363 L CB -0.365 41.815 42.059 0.201 0.000 0.893 363 L HN 0.268 nan 8.230 nan 0.000 0.432 364 E N -0.810 119.405 120.200 0.025 0.000 2.060 364 E HA -0.117 4.233 4.350 0.000 0.000 0.189 364 E C 2.252 179.100 176.600 0.414 0.000 0.974 364 E CA 1.141 57.613 56.400 0.121 0.000 0.808 364 E CB -0.239 29.489 29.700 0.047 0.000 0.768 364 E HN 0.466 nan 8.360 nan 0.000 0.453 365 L N 1.089 122.489 121.223 0.295 0.000 2.131 365 L HA -0.152 4.188 4.340 0.000 0.000 0.210 365 L C 2.436 179.407 176.870 0.168 0.000 1.092 365 L CA 1.350 56.337 54.840 0.244 0.000 0.759 365 L CB -0.307 41.820 42.059 0.114 0.000 0.903 365 L HN 0.178 nan 8.230 nan 0.000 0.435 366 S N -2.821 112.921 115.700 0.069 0.000 2.556 366 S HA -0.119 4.351 4.470 0.000 0.000 0.216 366 S C 0.643 175.359 174.600 0.194 0.000 0.970 366 S CA -0.682 57.538 58.200 0.033 0.000 0.912 366 S CB -0.235 62.841 63.200 -0.207 0.000 0.790 366 S HN 0.517 nan 8.310 nan 0.000 0.504 367 W N 2.823 124.142 121.300 0.031 0.000 6.544 367 W HA -0.252 4.408 4.660 -0.000 0.000 0.423 367 W C -0.000 176.579 176.519 0.100 0.000 1.688 367 W CA 1.037 58.424 57.345 0.069 0.000 1.082 367 W CB -1.630 27.875 29.460 0.075 0.000 2.917 367 W HN 0.632 nan 8.180 nan 0.000 1.481 368 K N -0.185 120.215 120.400 -0.000 0.000 3.117 368 K HA -0.200 4.120 4.320 0.000 0.000 0.269 368 K C 0.847 177.601 176.600 0.256 0.000 1.098 368 K CA 1.549 57.925 56.287 0.149 0.000 0.785 368 K CB -1.542 30.973 32.500 0.024 0.000 1.242 368 K HN 1.312 nan 8.250 nan 0.000 0.491 369 G N -0.833 108.090 108.800 0.205 0.000 2.147 369 G HA2 -0.343 3.617 3.960 0.000 0.000 0.244 369 G HA3 -0.343 3.617 3.960 0.000 0.000 0.244 369 G C 0.375 175.372 174.900 0.162 0.000 1.005 369 G CA 1.191 46.420 45.100 0.215 0.000 0.713 369 G HN 0.759 nan 8.290 nan 0.000 0.515 370 T N -3.408 111.248 114.554 0.170 0.000 3.001 370 T HA 0.462 4.812 4.350 0.000 0.000 0.251 370 T C 0.675 175.453 174.700 0.130 0.000 1.040 370 T CA 0.661 62.858 62.100 0.161 0.000 0.985 370 T CB 0.625 69.623 68.868 0.215 0.000 1.011 370 T HN 0.444 nan 8.240 nan 0.000 0.509 371 K N 1.219 121.693 120.400 0.122 0.000 2.443 371 K HA 0.726 5.046 4.320 0.000 0.000 0.252 371 K C -1.117 175.513 176.600 0.050 0.000 0.933 371 K CA -0.845 55.492 56.287 0.084 0.000 0.792 371 K CB 2.427 34.986 32.500 0.098 0.000 1.185 371 K HN 0.196 nan 8.250 nan 0.000 0.425 372 A N 3.825 126.665 122.820 0.034 0.000 2.363 372 A HA 0.408 4.728 4.320 0.000 0.000 0.270 372 A C -0.034 177.557 177.584 0.011 0.000 1.121 372 A CA -0.479 51.569 52.037 0.019 0.000 0.800 372 A CB -0.095 18.917 19.000 0.021 0.000 1.052 372 A HN 0.719 nan 8.150 nan 0.000 0.493 373 I N 2.045 122.616 120.570 0.001 0.000 2.342 373 I HA 0.116 4.286 4.170 0.000 0.000 0.291 373 I C -0.079 176.041 176.117 0.004 0.000 1.010 373 I CA -0.398 60.902 61.300 -0.000 0.000 1.308 373 I CB 1.183 39.179 38.000 -0.008 0.000 1.400 373 I HN 0.608 nan 8.210 nan 0.000 0.488 374 D N 6.205 126.606 120.400 0.002 0.000 2.343 374 D HA 0.140 4.780 4.640 0.000 0.000 0.255 374 D C 0.548 176.853 176.300 0.007 0.000 1.187 374 D CA -0.177 53.826 54.000 0.004 0.000 0.875 374 D CB 1.347 42.146 40.800 -0.001 0.000 1.136 374 D HN 0.332 nan 8.370 nan 0.000 0.469 375 V N 1.596 121.518 119.914 0.013 0.000 3.276 375 V HA 0.604 4.724 4.120 0.000 0.000 0.319 375 V C 0.864 176.968 176.094 0.017 0.000 1.427 375 V CA 0.298 62.608 62.300 0.017 0.000 1.102 375 V CB -0.467 31.371 31.823 0.025 0.000 1.020 375 V HN 0.767 nan 8.190 nan 0.000 0.456 376 G N 0.566 109.374 108.800 0.013 0.000 2.756 376 G HA2 -0.137 3.823 3.960 0.000 0.000 0.678 376 G HA3 -0.137 3.823 3.960 0.000 0.000 0.678 376 G C -0.118 174.790 174.900 0.013 0.000 1.349 376 G CA -0.101 45.006 45.100 0.011 0.000 0.847 376 G HN 1.102 nan 8.290 nan 0.000 0.548 377 Q N -1.478 118.329 119.800 0.011 0.000 2.434 377 Q HA -0.110 4.230 4.340 0.000 0.000 0.299 377 Q C 1.700 177.708 176.000 0.012 0.000 1.286 377 Q CA 2.055 57.865 55.803 0.012 0.000 0.872 377 Q CB -1.736 27.011 28.738 0.014 0.000 1.193 377 Q HN 2.824 nan 8.270 nan 0.000 0.466 378 G N -0.931 107.875 108.800 0.011 0.000 2.175 378 G HA2 -0.359 3.601 3.960 0.000 0.000 0.265 378 G HA3 -0.359 3.601 3.960 0.000 0.000 0.265 378 G C 0.039 174.948 174.900 0.014 0.000 0.979 378 G CA 0.795 45.901 45.100 0.011 0.000 0.663 378 G HN 0.444 nan 8.290 nan 0.000 0.533 379 Q N 0.286 120.095 119.800 0.016 0.000 2.235 379 Q HA 0.623 4.963 4.340 0.000 0.000 0.256 379 Q C 0.305 176.316 176.000 0.020 0.000 0.951 379 Q CA 0.272 56.087 55.803 0.020 0.000 0.890 379 Q CB 1.808 30.560 28.738 0.023 0.000 1.279 379 Q HN 0.551 nan 8.270 nan 0.000 0.444 380 T N -0.727 113.841 114.554 0.023 0.000 2.883 380 T HA 0.743 5.093 4.350 0.000 0.000 0.296 380 T C -0.554 174.162 174.700 0.026 0.000 1.117 380 T CA -1.080 61.032 62.100 0.021 0.000 1.006 380 T CB 2.035 70.914 68.868 0.020 0.000 1.191 380 T HN 0.340 nan 8.240 nan 0.000 0.508 381 R N 0.315 120.827 120.500 0.019 0.000 2.771 381 R HA 0.655 4.995 4.340 0.000 0.000 0.274 381 R C 0.702 176.995 176.300 -0.012 0.000 0.987 381 R CA -0.428 55.684 56.100 0.020 0.000 0.908 381 R CB 1.756 32.069 30.300 0.020 0.000 1.213 381 R HN 1.055 nan 8.270 nan 0.000 0.468 382 T N -2.046 112.499 114.554 -0.015 0.000 3.234 382 T HA 0.344 4.694 4.350 0.000 0.000 0.235 382 T C 0.747 175.215 174.700 -0.386 0.000 0.971 382 T CA 0.379 62.390 62.100 -0.148 0.000 1.292 382 T CB -0.095 68.760 68.868 -0.021 0.000 0.994 382 T HN 0.271 nan 8.240 nan 0.000 0.412 383 F N 0.890 120.886 119.950 0.077 0.000 2.518 383 F HA 0.641 5.168 4.527 0.000 0.000 0.338 383 F C 0.108 175.961 175.800 0.088 0.000 1.065 383 F CA -1.589 56.464 58.000 0.087 0.000 1.012 383 F CB 0.836 39.883 39.000 0.078 0.000 1.297 383 F HN 0.028 nan 8.300 nan 0.000 0.489 384 L N 2.226 123.643 121.223 0.324 0.000 2.453 384 L HA 0.176 4.516 4.340 0.000 0.000 0.272 384 L C -0.420 176.549 176.870 0.165 0.000 1.182 384 L CA -0.073 54.901 54.840 0.224 0.000 0.858 384 L CB 0.154 42.374 42.059 0.269 0.000 1.120 384 L HN 0.301 nan 8.230 nan 0.000 0.474 385 L N 1.741 123.036 121.223 0.120 0.000 2.360 385 L HA 0.312 4.653 4.340 0.000 0.000 0.271 385 L C -0.148 176.759 176.870 0.061 0.000 1.057 385 L CA -1.120 53.769 54.840 0.080 0.000 0.803 385 L CB 0.907 43.005 42.059 0.066 0.000 1.207 385 L HN 0.498 nan 8.230 nan 0.000 0.445 386 D N 1.776 122.196 120.400 0.033 0.000 2.583 386 D HA 0.177 4.817 4.640 0.000 0.000 0.232 386 D C 1.076 177.390 176.300 0.024 0.000 1.128 386 D CA 1.616 55.625 54.000 0.015 0.000 0.859 386 D CB 0.822 41.622 40.800 0.000 0.000 1.169 386 D HN 0.837 nan 8.370 nan 0.000 0.481 387 G N 2.200 111.012 108.800 0.020 0.000 2.195 387 G HA2 -0.249 3.711 3.960 0.000 0.000 0.246 387 G HA3 -0.249 3.711 3.960 0.000 0.000 0.246 387 G C 0.061 174.990 174.900 0.047 0.000 0.984 387 G CA -0.120 44.996 45.100 0.027 0.000 0.633 387 G HN 0.534 nan 8.290 nan 0.000 0.525 388 D N 0.964 121.404 120.400 0.067 0.000 2.382 388 D HA 0.482 5.122 4.640 0.000 0.000 0.245 388 D C 0.380 176.752 176.300 0.121 0.000 1.120 388 D CA 0.336 54.393 54.000 0.096 0.000 0.890 388 D CB 1.217 42.092 40.800 0.124 0.000 1.201 388 D HN 0.536 nan 8.370 nan 0.000 0.433 389 E N 1.140 121.415 120.200 0.126 0.000 2.187 389 E HA 0.443 4.793 4.350 0.000 0.000 0.268 389 E C -1.485 175.220 176.600 0.176 0.000 0.896 389 E CA -0.786 55.708 56.400 0.157 0.000 0.766 389 E CB 1.269 31.037 29.700 0.113 0.000 1.142 389 E HN 0.062 nan 8.360 nan 0.000 0.408 390 V N 6.272 126.339 119.914 0.255 0.000 2.417 390 V HA 0.439 4.559 4.120 0.000 0.000 0.291 390 V C -0.148 176.026 176.094 0.133 0.000 1.024 390 V CA -0.559 61.847 62.300 0.177 0.000 0.861 390 V CB 1.338 33.254 31.823 0.155 0.000 0.985 390 V HN 0.640 nan 8.190 nan 0.000 0.436 391 I N 5.902 126.518 120.570 0.076 0.000 2.447 391 I HA 0.499 4.669 4.170 0.000 0.000 0.287 391 I C -0.623 175.510 176.117 0.026 0.000 1.023 391 I CA -0.375 60.963 61.300 0.062 0.000 1.083 391 I CB 1.961 40.005 38.000 0.073 0.000 1.245 391 I HN 0.412 nan 8.210 nan 0.000 0.434 392 I N 5.586 126.157 120.570 0.002 0.000 2.392 392 I HA 0.435 4.605 4.170 0.000 0.000 0.295 392 I C 0.273 176.388 176.117 -0.004 0.000 0.985 392 I CA -0.172 61.115 61.300 -0.023 0.000 1.221 392 I CB 1.939 39.896 38.000 -0.071 0.000 1.366 392 I HN 0.611 nan 8.210 nan 0.000 0.467 393 T N 1.549 116.098 114.554 -0.007 0.000 2.901 393 T HA 0.880 5.230 4.350 0.000 0.000 0.293 393 T C -0.400 174.250 174.700 -0.083 0.000 1.084 393 T CA -0.990 61.098 62.100 -0.021 0.000 1.008 393 T CB 2.171 71.081 68.868 0.070 0.000 1.170 393 T HN 0.833 nan 8.240 nan 0.000 0.509 394 G N 0.197 108.870 108.800 -0.210 0.000 2.759 394 G HA2 0.629 4.589 3.960 0.000 0.000 0.297 394 G HA3 0.629 4.589 3.960 0.000 0.000 0.297 394 G C -2.168 172.538 174.900 -0.323 0.000 1.434 394 G CA -0.751 44.215 45.100 -0.224 0.000 0.980 394 G HN 0.925 nan 8.290 nan 0.000 0.531 395 H N -0.987 118.096 119.070 0.022 0.000 2.974 395 H HA 0.503 5.059 4.556 0.000 0.000 0.366 395 H C -0.795 174.458 175.328 -0.125 0.000 1.155 395 H CA -0.503 55.534 56.048 -0.019 0.000 1.186 395 H CB 1.796 31.508 29.762 -0.084 0.000 1.799 395 H HN 0.671 nan 8.280 nan 0.000 0.541 396 C N 2.026 121.217 119.300 -0.182 0.000 2.319 396 C HA 0.369 4.829 4.460 0.000 0.000 0.335 396 C C 0.141 174.788 174.990 -0.570 0.000 1.274 396 C CA -0.495 58.145 59.018 -0.629 0.000 1.806 396 C CB 0.486 27.319 27.740 -1.512 0.000 2.329 396 C HN 0.696 nan 8.230 nan 0.000 0.524 397 Q N 1.906 121.494 119.800 -0.353 0.000 2.360 397 Q HA 0.553 4.893 4.340 0.000 0.000 0.254 397 Q C 0.184 176.162 176.000 -0.037 0.000 0.975 397 Q CA 0.291 55.986 55.803 -0.180 0.000 0.912 397 Q CB 0.828 29.509 28.738 -0.095 0.000 1.212 397 Q HN 0.935 nan 8.270 nan 0.000 0.452 398 G N 2.205 110.819 108.800 -0.311 0.000 2.557 398 G HA2 0.269 4.229 3.960 0.000 0.000 0.302 398 G HA3 0.269 4.229 3.960 0.000 0.000 0.302 398 G C -0.842 173.812 174.900 -0.410 0.000 1.311 398 G CA -0.717 44.086 45.100 -0.495 0.000 1.030 398 G HN 0.625 nan 8.290 nan 0.000 0.509 399 D N 0.166 120.431 120.400 -0.226 0.000 2.402 399 D HA 0.403 5.043 4.640 0.000 0.000 0.235 399 D C 1.239 177.572 176.300 0.055 0.000 1.226 399 D CA 1.247 55.225 54.000 -0.037 0.000 0.918 399 D CB 0.477 41.308 40.800 0.051 0.000 1.043 399 D HN 0.836 nan 8.370 nan 0.000 0.506 400 G N 2.342 111.143 108.800 0.002 0.000 2.141 400 G HA2 -0.261 3.699 3.960 0.000 0.000 0.242 400 G HA3 -0.261 3.699 3.960 0.000 0.000 0.242 400 G C -0.036 174.968 174.900 0.173 0.000 0.982 400 G CA 0.709 45.861 45.100 0.086 0.000 0.662 400 G HN 0.598 nan 8.290 nan 0.000 0.527 401 Y N -2.107 118.207 120.300 0.023 0.000 2.713 401 Y HA 0.804 5.354 4.550 0.000 0.000 0.335 401 Y C -0.623 175.291 175.900 0.023 0.000 1.222 401 Y CA -1.313 56.794 58.100 0.012 0.000 1.061 401 Y CB 0.666 39.138 38.460 0.019 0.000 1.314 401 Y HN 0.524 nan 8.280 nan 0.000 0.453 402 R N 0.873 121.400 120.500 0.045 0.000 2.686 402 R HA 0.823 5.163 4.340 0.000 0.000 0.283 402 R C -2.215 174.130 176.300 0.075 0.000 0.978 402 R CA -1.101 54.969 56.100 -0.049 0.000 0.897 402 R CB 2.281 32.545 30.300 -0.061 0.000 1.192 402 R HN 0.572 nan 8.270 nan 0.000 0.457 403 V N 2.757 122.664 119.914 -0.012 0.000 2.334 403 V HA 0.438 4.558 4.120 0.000 0.000 0.267 403 V C 0.486 176.459 176.094 -0.202 0.000 1.040 403 V CA -0.013 62.240 62.300 -0.078 0.000 0.866 403 V CB 0.894 32.690 31.823 -0.046 0.000 1.019 403 V HN 0.917 nan 8.190 nan 0.000 0.468 404 G N 2.487 111.105 108.800 -0.303 0.000 2.471 404 G HA2 0.577 4.537 3.960 0.000 0.000 0.332 404 G HA3 0.577 4.537 3.960 0.000 0.000 0.332 404 G C -0.384 174.229 174.900 -0.479 0.000 1.176 404 G CA -0.338 44.524 45.100 -0.397 0.000 0.949 404 G HN 0.503 nan 8.290 nan 0.000 0.488 405 F N 0.597 120.327 119.950 -0.368 0.000 2.661 405 F HA 0.337 4.864 4.527 0.000 0.000 0.306 405 F C 1.788 177.613 175.800 0.041 0.000 1.094 405 F CA 0.489 58.423 58.000 -0.109 0.000 1.254 405 F CB 0.438 39.360 39.000 -0.129 0.000 1.040 405 F HN 0.917 nan 8.300 nan 0.000 0.562 406 G N 0.781 109.624 108.800 0.071 0.000 2.566 406 G HA2 -0.272 3.688 3.960 0.000 0.000 0.280 406 G HA3 -0.272 3.688 3.960 0.000 0.000 0.280 406 G C -0.134 174.866 174.900 0.167 0.000 1.225 406 G CA -0.349 44.882 45.100 0.218 0.000 0.966 406 G HN 0.268 nan 8.290 nan 0.000 0.560 407 Q N -1.327 118.596 119.800 0.205 0.000 2.377 407 Q HA 0.534 4.874 4.340 0.000 0.000 0.271 407 Q C -0.859 175.216 176.000 0.125 0.000 1.077 407 Q CA -0.443 55.442 55.803 0.136 0.000 0.820 407 Q CB 2.548 31.366 28.738 0.133 0.000 1.347 407 Q HN 0.918 nan 8.270 nan 0.000 0.444 408 C N 2.044 121.393 119.300 0.082 0.000 2.521 408 C HA 0.830 5.290 4.460 0.000 0.000 0.291 408 C C -0.624 174.412 174.990 0.076 0.000 1.074 408 C CA -0.137 58.920 59.018 0.066 0.000 1.495 408 C CB -0.939 26.809 27.740 0.013 0.000 1.862 408 C HN 0.764 nan 8.230 nan 0.000 0.418 409 A N 3.642 126.536 122.820 0.122 0.000 2.355 409 A HA 1.015 5.335 4.320 0.000 0.000 0.324 409 A C -0.036 177.699 177.584 0.251 0.000 1.117 409 A CA 0.005 52.138 52.037 0.160 0.000 0.785 409 A CB 1.443 20.519 19.000 0.127 0.000 1.254 409 A HN 1.597 nan 8.150 nan 0.000 0.453 410 G N 0.366 109.378 108.800 0.354 0.000 2.732 410 G HA2 0.528 4.488 3.960 0.000 0.000 0.296 410 G HA3 0.528 4.488 3.960 0.000 0.000 0.296 410 G C -1.466 173.578 174.900 0.241 0.000 1.448 410 G CA -0.610 44.688 45.100 0.328 0.000 0.911 410 G HN 0.758 nan 8.290 nan 0.000 0.528 411 K N 1.066 121.505 120.400 0.065 0.000 2.221 411 K HA 0.633 4.953 4.320 0.000 0.000 0.258 411 K C -0.475 176.072 176.600 -0.088 0.000 0.944 411 K CA -0.644 55.660 56.287 0.029 0.000 0.823 411 K CB 2.103 34.622 32.500 0.033 0.000 1.113 411 K HN 0.254 nan 8.250 nan 0.000 0.431 412 V N 5.878 125.751 119.914 -0.068 0.000 2.455 412 V HA 0.170 4.290 4.120 0.000 0.000 0.273 412 V C 0.242 176.297 176.094 -0.065 0.000 1.045 412 V CA -0.391 61.844 62.300 -0.108 0.000 0.976 412 V CB 0.540 32.342 31.823 -0.035 0.000 0.993 412 V HN 0.665 nan 8.190 nan 0.000 0.475 413 L N 7.522 128.694 121.223 -0.084 0.000 2.360 413 L HA 0.486 4.826 4.340 0.000 0.000 0.271 413 L C -2.168 174.668 176.870 -0.057 0.000 1.057 413 L CA -1.985 52.821 54.840 -0.057 0.000 0.803 413 L CB 1.619 43.645 42.059 -0.057 0.000 1.207 413 L HN 0.408 nan 8.230 nan 0.000 0.445 414 P HA 0.050 nan 4.420 nan 0.000 0.269 414 P C -0.638 176.628 177.300 -0.056 0.000 1.209 414 P CA -0.368 62.705 63.100 -0.044 0.000 0.776 414 P CB 0.494 32.176 31.700 -0.030 0.000 0.876 415 A N 2.193 124.971 122.820 -0.071 0.000 2.555 415 A HA 0.311 4.631 4.320 0.000 0.000 0.233 415 A C -0.097 177.457 177.584 -0.050 0.000 1.060 415 A CA 0.581 52.571 52.037 -0.078 0.000 0.759 415 A CB -0.711 18.227 19.000 -0.104 0.000 0.995 415 A HN 0.617 nan 8.150 nan 0.000 0.506 416 L N 0.000 121.199 121.223 -0.039 0.000 2.949 416 L HA 0.000 4.340 4.340 0.000 0.000 0.249 416 L CA 0.000 54.830 54.840 -0.017 0.000 0.813 416 L CB 0.000 42.050 42.059 -0.014 0.000 0.961 416 L HN 0.000 nan 8.230 nan 0.000 0.502